Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 9/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL29115443 | 1.00 | NAMPT (0.52) | NAMPTNPC1RAB9ABRAFKDM1A | |
| SCHEMBL29115572 | 1.00 | NAMPT (0.52) | NAMPTNPC1RAB9ABRAFKDM1A | |
| SCHEMBL6226380 | 0.81 | NPC1 (0.63) | NPC1RAB9ATAS1R3TAS1R1TAS1R2 | |
| SCHEMBL29085175 | 0.77 | USP30 (0.56) | NAMPTNPC1RAB9AUSP30 | |
| SCHEMBL29085179 | 0.77 | USP30 (0.56) | NAMPTNPC1RAB9AUSP30 | |
| SCHEMBL29085200 | 0.77 | USP30 (0.56) | NAMPTNPC1RAB9AUSP30 | |
| SCHEMBL29960478 | 0.77 | USP30 (0.56) | NAMPTNPC1RAB9AUSP30 | |
| SCHEMBL30065244 | 0.76 | USP30 (0.55) | NAMPTNPC1RAB9ABRAFKMT2A | |
| SCHEMBL13575589 | 0.76 | HDAC6 (0.55) | NAMPTNPC1RAB9AKDM1ATAS1R3 | |
| SCHEMBL633936 | 0.74 | NAMPT (0.61) | NAMPTNPC1RAB9AKDM1AHPGDS |
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 |