Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8577569 | 0.89 | ABCG2 (0.42) | RIPK1ABCG2KDM4EGAASMN1; SMN2 | |
| SCHEMBL8577523 | 0.84 | ABCG2 (0.42) | RIPK1ABCG2KDM4EGAASMN1; SMN2 | |
| SCHEMBL8575371 | 0.77 | HTR6 (0.42) | ABCG2KDM4EHTR6MAPTALDH1A1 | |
| SCHEMBL8572826 | 0.76 | CYP19A1 (0.37) | CYP19A1MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL30543094 | 0.72 | CYP19A1 (0.46) | RIPK1ABCG2KDM4EGAASMN1; SMN2 | |
| SCHEMBL8577398 | 0.72 | GAA (0.38) | ABCG2KDM4EGAAMAPTABCB1 | |
| SCHEMBL8574170 | 0.71 | GAA (0.39) | ABCG2KDM4EGAAMAPTALDH1A1 | |
| SCHEMBL8572760 | 0.70 | PLK1 (0.37) | ALDH1A1 | |
| SCHEMBL8576216 | 0.68 | GAA (0.38) | ABCG2KDM4EGAAMAPTALDH1A1 | |
| SCHEMBL28636154 | 0.68 | MAPT (0.39) | ABCG2KDM4EGAASMN1; SMN2CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998017662-A1 | PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | claimed |
| WO-1998017662-A1 | PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | disclosed |