Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BRD1 | O95696 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251202 | 0.85 | ALDH1A1 (0.43) | CYP1A2MPOALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL24756942 | 0.82 | MPO (0.38) | CYP1A2MPOALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL25696112 | 0.79 | GABRA1 (0.40) | CYP1A2MPOALDH1A1CYP2A6CYP3A4 | |
| SCHEMBL598921 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1CYP2A6CYP3A4HSD17B10 | |
| SCHEMBL588459 | 0.75 | ALDH1A1 (0.53) | CYP1A2ALDH1A1CYP2A6CYP3A4HSD17B10 | |
| SCHEMBL29353343 | 0.75 | ALDH1A1 (0.53) | CYP1A2ALDH1A1CYP2A6CYP3A4HSD17B10 | |
| SCHEMBL10306619 | 0.74 | MEN1 (0.50) | CYP1A2ALDH1A1CYP2A6CYP3A4BRD1 | |
| SCHEMBL21185850 | 0.74 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP2A6CYP3A4HSD17B10 | |
| SCHEMBL5574510 | 0.74 | CYP3A4 (0.61) | CYP1A2MPOALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL24022950 | 0.74 | ALDH1A1 (0.33) | CYP1A2MPOALDH1A1CYP3A4HSD17B10 |
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-2024055112-A1 | BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2024-03-21 | — | — | WO | disclosed |
| US-4008326-A | INCREASING PRODUCTION OF PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1977-02-15 | — | — | US | disclosed |