Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 6/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115599 | 0.97 | ACVR1 (0.48) | ACVR1TGFBR1AOC3ADRB1ALDH1A1 | |
| SCHEMBL29960909 | 0.85 | ACVR1 (0.54) | ACVR1TGFBR1AOC3ADRB1CHRNB2 | |
| SCHEMBL29115436 | 0.83 | ACVR1 (0.52) | ACVR1TGFBR1AOC3ADRB1CHRNB2 | |
| SCHEMBL30879569 | 0.79 | MAPT (0.55) | ACVR1TGFBR1ADRB1ALDH1A1USP2 | |
| SCHEMBL3633976 | 0.77 | ACVR1 (0.62) | ACVR1TGFBR1ADRB1ALDH1A1USP2 | |
| SCHEMBL1741562 | 0.77 | ADRB1 (0.61) | ACVR1TGFBR1ADRB1ALDH1A1USP2 | |
| SCHEMBL30798753 | 0.77 | ADRB1 (0.61) | ACVR1TGFBR1ADRB1ALDH1A1USP2 | |
| Hydrochloric Acid SCHEMBL27825221 | 0.76 | ACVR1 (0.61) | ACVR1TGFBR1ADRB1ALDH1A1USP2 | |
| SCHEMBL1598681 | 0.76 | ADRB1 (0.46) | AOC3ADRB1ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL29138207 | 0.74 | ADRB1 (0.61) | ACVR1TGFBR1ADRB1ALDH1A1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |