Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.50 |
| ▸ | BRD2 | P25440 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1626841 | 0.90 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL329316 | 0.90 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| Methylpyrrolidone SCHEMBL28278382 | 0.89 | BRD4 (0.57) | BRD4BRD2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL76559 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27409503 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7459714 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL136476 | 0.82 | ALDH1A1 (0.67) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20261896 | 0.82 | TP53 (0.54) | BRD4ALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7466356 | 0.81 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| Tannin Pyrogallol SCHEMBL29240161 | 0.80 | BRD4 (0.57) | BRD4BRD2ALDH1A1HPGDL3MBTL1 |
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-2021111693-A1 | TIRE | 住友ゴム工業株式会社 | 2021-06-10 | — | — | WO | disclosed |
| WO-2020129356-A1 | TIRE | 住友ゴム工業株式会社 | 2020-06-25 | — | — | WO | disclosed |