Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MELK | Q14680 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9257177 | 0.82 | GRM5 (0.43) | GRM5CHRNB2CHRNA3 | |
| SCHEMBL6851735 | 0.80 | MELK (0.46) | GRM5ALDH1A1MELKCYP2A6MMP2 | |
| SCHEMBL9741037 | 0.77 | CHRNB2 (0.46) | GRM5ALDH1A1CHRNB2CHRNA3CYP3A4 | |
| SCHEMBL6469089 | 0.76 | CYP2A6 (0.59) | GRM5CYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL17050214 | 0.76 | GRM5 (0.48) | GRM5CHRNB2CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL13907283 | 0.76 | GRM5 (0.70) | GRM5 | |
| SCHEMBL29154136 | 0.74 | ALDH1A1 (0.41) | GRM5ALDH1A1MELKMMP2MMP12 | |
| SCHEMBL2155811 | 0.74 | CYP2A6 (0.67) | GRM5ALDH1A1MELKCHRNB2CYP2E1 | |
| SCHEMBL30938347 | 0.74 | CYP2A6 (0.67) | GRM5ALDH1A1MELKCHRNB2CYP2E1 | |
| SCHEMBL4284069 | 0.73 | GRM5 (0.55) | GRM5ALDH1A1MELKCHRNB2CHRNA3 |
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-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| CN-1120538-A | 3-heteroaliphatyl- and 3-hetero (aryl) aliphatyl-2(1H)-quinolone dericatives | CIBA GEIGY AG (CH) | 1996-04-17 | — | — | CN | disclosed |
| EP-0685466-A1 | 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives | CIBA-GEIGY AG (CH) | 1995-12-06 | — | — | EP | disclosed |