Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 2/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2955343 | 0.85 | ALDH1A1 (0.56) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL686849 | 0.85 | CYP1A2 (0.64) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL18639409 | 0.83 | MAPK1 (0.47) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL10044941 | 0.80 | ACHE (0.42) | ACHECYP1A2CYP1A1CYP1B1CA9 | |
| SCHEMBL1942567 | 0.80 | PTPN1 (0.41) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL15120000 | 0.78 | ALDH1A1 (0.52) | ACHECYP1A2ALDH1A1CA9CYP3A4 | |
| SCHEMBL10196604 | 0.78 | ACHE (0.76) | ACHECA9PTPN1CYP3A4MAPT | |
| Formaldehyde SCHEMBL28179692 | 0.78 | CYP1A2 (0.57) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL12141429 | 0.78 | ALDH1A1 (0.48) | CYP1A2CYP1A1CYP1B1ALDH1A1CA9 | |
| SCHEMBL20739348 | 0.77 | MEN1 (0.47) | ACHECYP3A4MAPTTUBB4ATUBB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104116723-A | Application of benzene derivatives to prepare pain-easing anti-inflammation medicines | UNIV BEIJING | 2014-10-29 | — | — | CN | claimed |
| EP-2308861-B1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI R&D MAN CO LTD (JP) | 2017-03-01 | — | — | EP | disclosed |
| WO-2017007612-A1 | METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-01-12 | — | — | WO | disclosed |
| CN-104116723-B | The application in preparing antalgic and inflammation relieving medicine of the one class benzene derivative | 北京大学 | 2016-12-28 | — | — | CN | disclosed |
| US-9365513-B2 | Fullerene derivative, and method of preparing the same | RICOH COMPANY, LTD. (JP) | 2016-06-14 | — | — | US | disclosed |
| CN-104876904-A | Macrocyclic Compounds Useful As Pharmaceuticals | EISAI R&D MAN CO LTD | 2015-09-02 | — | — | CN | disclosed |
| US-20150158814-A1 | FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME | RICOH COMPANY, LTD. (JP) | 2015-06-11 | — | — | US | disclosed |
| CN-104116723-A | Application of benzene derivatives to prepare pain-easing anti-inflammation medicines | UNIV BEIJING | 2014-10-29 | — | — | CN | disclosed |
| CN-104116723-A | Application of benzene derivatives to prepare pain-easing anti-inflammation medicines | UNIV BEIJING | 2014-10-29 | — | — | CN | disclosed |
| US-20130196987-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO., LTD. (JP) | 2013-08-01 | — | — | US | disclosed |
| US-7799827-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |
| US-20060247448-A1 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2006-11-02 | — | — | US | disclosed |
| WO-2005023792-A2 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO. LTD. (JP) | 2005-03-17 | — | — | WO | disclosed |
| EP-1507773-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | Eisai Co., Ltd (JP) | 2005-02-23 | — | — | EP | disclosed |
| US-20040224936-A1 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2004-11-11 | — | — | US | disclosed |
| WO-2003076424-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO. LTD. (JP) | 2003-09-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130196987-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | FLT4, VEGFA, FLT1 | ACHE 4033/4885CYP1A2 2083/4885CYP1A1 2165/4885 |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K5 | ACHE 2344/4885CYP1A2 3941/4885CYP1A1 4281/4885 |
| US-20060247448-A1 | Macrocyclic compounds useful as pharmaceuticals | FLT1, VEGFA, ARG1 | ACHE 4256/4885CYP1A2 754/4885CYP1A1 190/4885 |
| US-20040224936-A1 | Macrocyclic compounds useful as pharmaceuticals | CCR1, CCL11, FLT1 | ACHE 1878/4885CYP1A2 689/4885CYP1A1 157/4885 |
| US-20150158814-A1 | FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME | NCL, PFDN2, NUP50 | ACHE 2315/4885CYP1A2 973/4885CYP1A1 1064/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.