Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL21431493 | 0.90 | NPC1 (0.53) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL20401447 | 0.78 | NPC1 (0.43) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL24968315 | 0.77 | TRPA1 (0.40) | NPC1RAB9AMITFPKMSMN1; SMN2 | |
| SCHEMBL27077673 | 0.77 | NPC1 (0.43) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL26128948 | 0.77 | NPC1 (0.41) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL30129775 | 0.76 | NPC1 (0.35) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL38656212 | 0.76 | NPC1 (0.43) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL26126936 | 0.75 | NPC1 (0.41) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL28982926 | 0.75 | NPC1 (0.40) | NPC1RAB9AMITFPKMLGALS8 | |
| SCHEMBL21431494 | 0.73 | NPC1 (0.52) | NPC1RAB9AMITFPKMLGALS8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023185073-A1 | PARP7 INHIBITOR AND USE THEREOF | 诺沃斯达药业(上海)有限公司 | 2023-10-05 | — | — | WO | disclosed |