Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 6/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30537733 | 0.89 | KDM4E (0.46) | CNR2CNR1ALDH1A1KDM4EGAA | |
| SCHEMBL798769 | 0.89 | KDM4E (0.46) | CNR2CNR1ALDH1A1KDM4EGAA | |
| SCHEMBL11070744 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP2A6CNR2DAOCNR1 | |
| SCHEMBL27455037 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2A6CNR2CNR1ALDH1A1 | |
| SCHEMBL11050977 | 0.82 | CNR2 (0.45) | CNR2CNR1ALDH1A1KDM4EGAA | |
| SCHEMBL7754391 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2A6CNR2DAOCNR1 | |
| SCHEMBL12695278 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP2A6DAOALDH1A1KDM4E | |
| SCHEMBL11815158 | 0.81 | TAAR1 (0.57) | CYP1A2CYP2A6DAO | |
| SCHEMBL7653968 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP2A6DAOALDH1A1KDM4E | |
| SCHEMBL8816153 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP2A6DAOALDH1A1TSHR |
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-6492364-B1 | Triazolo and derivatives as chemokine inhibitors | TORAY INDUSTRIES, INC. (JP) | 2002-12-10 | — | — | US | disclosed |
| EP-1067130-A1 | TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2001-01-10 | — | — | EP | disclosed |
| US-4524230-A | Preparation of alkylaromatic compounds | UOP INC. (US) | 1985-06-18 | — | — | US | disclosed |