Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | RORB | Q92753 | 5/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002267 | 0.89 | RORB (0.56) | PARP1KCNA5KCNH2RORBRORC | |
| SCHEMBL473595 | 0.87 | ALDH1A1 (0.59) | PARP1KDM4EKCNA5KCNH2RORB | |
| SCHEMBL2565096 | 0.86 | KIF11 (0.45) | PARP1KDM4ERORBLMNAALDH1A1 | |
| SCHEMBL5665026 | 0.84 | TRPV1 (0.52) | PARP1 | |
| SCHEMBL10429353 | 0.84 | KDM4E (0.55) | PARP1KDM4ERORBRORCKMO | |
| SCHEMBL2991676 | 0.81 | LMNA (0.57) | PARP1KDM4ERORBLMNATDP1 | |
| SCHEMBL3476293 | 0.81 | AURKA (0.44) | PARP1KDM4ELMNAMEN1GMNN | |
| SCHEMBL6174664 | 0.80 | KCNA5 (0.49) | KCNA5KCNH2DHODHRPS6KB1 | |
| SCHEMBL4724483 | 0.79 | PARP1 (0.59) | PARP1KDM4ERORBRORCALDH1A1 | |
| SCHEMBL27964788 | 0.78 | RORB (0.68) | PARP1KCNA5RORBALDH1A1RPS6KB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021188880-A1 | BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF | AMATHUS THERAPEUTICS, INC. (US) | 2021-09-23 | — | — | WO | disclosed |
| EP-1807416-A1 | NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006048249-A1 | NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-05-11 | — | — | WO | disclosed |