Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693398 | 1.00 | CA14 (0.41) | CA14CA12ADH1BADH1CADH1A | |
| SCHEMBL3201079 | 0.84 | CA14 (0.52) | CA14CA12ADH1BADH1CADH1A | |
| SCHEMBL8610890 | 0.84 | CA14 (0.52) | CA14CA12ADH1BADH1CADH1A | |
| SCHEMBL27600917 | 0.80 | ADH1B (0.33) | CA14CA12ADH1BADH1CADH1A | |
| SCHEMBL8017539 | 0.78 | NOS3 (0.43) | TAS1R3TAS1R1 | |
| SCHEMBL31509428 | 0.78 | NOS3 (0.43) | TAS1R3TAS1R1 | |
| SCHEMBL18823490 | 0.77 | ADH1B (0.42) | ADH1BADH1CADH1AKMT2AMEN1 | |
| SCHEMBL18712598 | 0.77 | ADH1B (0.42) | ADH1BADH1CADH1AKMT2AMEN1 | |
| SCHEMBL22166168 | 0.77 | ADH1B (0.42) | ADH1BADH1CADH1AKMT2AMEN1 | |
| SCHEMBL17313812 | 0.77 | ADH1B (0.42) | ADH1BADH1CADH1AKMT2AMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130184462-A1 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-07-18 | — | — | US | disclosed |
| US-20100029724-A1 | SCREENING METHOD | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-04 | — | — | US | disclosed |
| EP-2039779-A1 | SCREENING METHOD | Takeda Pharmaceutical Company Limited (JP) | 2009-03-25 | — | — | EP | disclosed |
| US-20080287438-A1 | Agent for preventing or treating neuropathy | MOMOSE YU | 2008-11-20 | — | — | US | disclosed |
| US-7423159-B2 | Agent for preventing or treating neuropathy | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-09 | — | — | US | disclosed |
| US-7183276-B2 | Azole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-27 | — | — | US | disclosed |
| US-20060004069-A1 | Agent for preventing or treating neuropathy | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-05 | — | — | US | disclosed |
| US-20050090534-A1 | Azole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1486490-A1 | AZOLE COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2004-12-15 | — | — | EP | 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 (4 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-20050090534-A1 | Azole compounds | AHR, NR0B2, NR2C2 | CA14 2335/4885CA12 2146/4885ADH1B 252/4885 |
| US-20100029724-A1 | SCREENING METHOD | NR2C2, NCOR2, NCOA2 | CA14 1529/4885CA12 723/4885ADH1B 497/4885 |
| US-20060004069-A1 | Agent for preventing or treating neuropathy | NR2C2, NR0B2, NR2E1 | CA14 4354/4885CA12 3141/4885ADH1B 699/4885 |
| US-20080287438-A1 | Agent for preventing or treating neuropathy | NR2C2, NR0B2, NR2E1 | CA14 4354/4885CA12 3141/4885ADH1B 699/4885 |
“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.