Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL7565723 | 0.76 | FAAH (0.44) | NAAA | |
| SCHEMBL2838141 | 0.72 | CYP1A2 (0.65) | CTRCCYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL4574327 | 0.69 | NQO1 (0.46) | CTRCNQO1CYP1A2CYP2A6CYP2D6 | |
| SCHEMBL5900962 | 0.68 | CYP1A2 (0.60) | CTRCCYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL28846677 | 0.68 | CYP1A2 (0.60) | CTRCCYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL30527823 | 0.68 | GSTP1 (0.48) | CYP1A2GABRA1GABRG2GABRB3ALOX5 | |
| SCHEMBL8551301 | 0.68 | GSTP1 (0.48) | CYP1A2GABRA1GABRG2GABRB3ALOX5 | |
| SCHEMBL9595621 | 0.67 | CYP1A2 (0.54) | CTRCCYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL29417927 | 0.67 | CYP1A2 (0.58) | CYP1A2CYP2A6CYP2D6NFKB1TAAR1 | |
| SCHEMBL598561 | 0.67 | CYP1A2 (0.58) | CYP1A2CYP2A6CYP2D6NFKB1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376539-B1 | ANTIISCHEMIC AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-23 | — | — | US | disclosed |
| EP-1047686-A1 | SUBSTITUTED BICYCLIC LACTONES | Bayer Aktiengesellschaft (DE) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999036418-A1 | SUBSTITUTED BICYCLIC LACTONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-22 | — | — | WO | disclosed |