Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1829968 | 0.86 | NQO2 (0.44) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL9292546 | 0.83 | NQO2 (0.42) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL147312 | 0.82 | TUBB1 (0.46) | TUBB1NQO2KDM4EALDH1A1MAPT | |
| SCHEMBL30171329 | 0.81 | CA2 (0.50) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL772484 | 0.81 | CA2 (0.50) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL9669244 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1CA2CA4LMNA | |
| SCHEMBL10138847 | 0.79 | TUBB1 (0.39) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL1628136 | 0.79 | CA2 (0.54) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL287639 | 0.79 | CA2 (0.38) | TUBB1NQO2KDM4EALDH1A1CA2 | |
| SCHEMBL8071106 | 0.79 | NQO2 (0.43) | TUBB1NQO2KDM4EALDH1A1CA2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575161-B2 | Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators | MERCK PATENT GMBH (DE) | 2013-11-05 | — | — | US | disclosed |
| US-8440643-B2 | Inhibitors of beta-lactamase | METHYLGENE INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| US-8067462-B2 | Processes of making sesquiterpenoid tashironin, its analogs and their uses | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-11-29 | — | — | US | disclosed |
| US-8067462-B2 | Processes of making sesquiterpenoid tashironin, its analogs and their uses | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-11-29 | — | — | US | disclosed |
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20110105475-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | MERXCK PATENT GESELLSCHAFT (DE) | 2011-05-05 | — | — | US | disclosed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| US-20090105332-A1 | PROCESSES OF MAKING SESQUITERPENOID TASHIRONIN, ITS ANALOGS AND THEIR USES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105332-A1 | PROCESSES OF MAKING SESQUITERPENOID TASHIRONIN, ITS ANALOGS AND THEIR USES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) | 2009-04-23 | — | — | US | disclosed |
| EP-0980350-A4 | HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES | UNIV NEW MEXICO (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6124498-A | Hydroxynaphthoic acids and derivatives | UNIVERSITY OF NEW MEXICO (US) | 2000-09-26 | — | — | US | disclosed |
| EP-0980350-A2 | HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES | The University of New Mexico (US) | 2000-02-23 | — | — | EP | disclosed |
| WO-1998049130-A2 | HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES | THE UNIVERSITY OF NEW MEXICO (US) | 1998-11-05 | — | — | 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 (3 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-20090163471-A1 | Tropane compounds | ADRA1B, ADRA2B, ADRB2 | TUBB1 72/4885NQO2 1187/4885KDM4E 4402/4885 |
| US-20110105475-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | FXR1, FXR2, NR1H4 | TUBB1 1369/4885NQO2 1276/4885KDM4E 2944/4885 |
| US-20090105332-A1 | PROCESSES OF MAKING SESQUITERPENOID TASHIRONIN, ITS ANALOGS AND THEIR USES | OXER1, OXSR1, BRS3 | TUBB1 2189/4885NQO2 862/4885KDM4E 3084/4885 |
“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.