Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6282533 | 0.85 | KDM4E (0.47) | ALDH1A1CYP3A4AURKATTKMAPT | |
| SCHEMBL6286157 | 0.85 | KDM4E (0.44) | CYP1A1ALDH1A1CYP3A4AURKATTK | |
| SCHEMBL6503284 | 0.81 | RAB9A (0.61) | CYP1A1ALDH1A1CCNA2CDK2MAPT | |
| SCHEMBL6286918 | 0.80 | PARP1 (0.47) | AURKAFYNCCNA2CDK2TTK | |
| Hydrochloric Acid SCHEMBL6502726 | 0.80 | RAB9A (0.60) | CYP1A1ALDH1A1CCNA2CDK2MAPT | |
| SCHEMBL7089024 | 0.79 | CYP1A1 (0.43) | CYP1A1ALDH1A1CYP3A4MAPTKDM4E | |
| SCHEMBL6494925 | 0.79 | CYP1A1 (0.43) | CYP1A1ALDH1A1CYP3A4MAPTKDM4E | |
| SCHEMBL6493592 | 0.79 | CYP1A1 (0.51) | CYP1A1ALDH1A1CYP3A4MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL6496441 | 0.78 | CYP1A1 (0.50) | CYP1A1ALDH1A1CYP3A4MAPTKDM4E | |
| SCHEMBL6281866 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPTKDM4ENPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040014759-A1 | 6,5-Fused bicyclic heterocycles | PICARD JOSEPH ARMAND (US) | 2004-01-22 | — | — | US | claimed |
| EP-1294718-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY LLC (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001096336-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY (US) | 2001-12-20 | — | — | WO | claimed |
| US-6943174-B2 | 6,5-Fused bicyclic heterocycles | WARNER-LAMBERT COMPANY (US) | 2005-09-13 | — | — | US | disclosed |
| EP-1294718-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY LLC (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096336-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY (US) | 2001-12-20 | — | — | 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 (1 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-20040014759-A1 | 6,5-Fused bicyclic heterocycles | ALOX15, ALOX5, ALOX15B | CYP1A1 45/4885ALDH1A1 522/4885KIT 2059/4885 |
“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.