Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22760177 | 0.90 | AKR1C3 (0.44) | CYP3A4CYP1A2KMOKDM4EHPGD | |
| SCHEMBL22747901 | 0.88 | HSD17B10 (0.37) | KDM4EHPGDALDH1A1LMNATSHR | |
| SCHEMBL22747853 | 0.88 | MAPT (0.42) | NOTUMCYP3A4CYP1A2KMOKDM4E | |
| SCHEMBL22748334 | 0.88 | KMO (0.40) | NOTUMCYP3A4CYP1A2KMOKDM4E | |
| SCHEMBL22747879 | 0.86 | HPGD (0.42) | CYP3A4CYP1A2CYP2C9KMOKDM4E | |
| SCHEMBL22748196 | 0.86 | EDNRA (0.42) | NOTUMKMOKDM4EALDH1A1LMNA | |
| SCHEMBL22760131 | 0.86 | KMO (0.39) | CYP3A4CYP1A2KMOKDM4EHPGD | |
| SCHEMBL22760212 | 0.85 | NOTUM (0.39) | PPARGNOTUMCYP3A4CYP1A2KMO | |
| SCHEMBL22748281 | 0.85 | KMO (0.37) | CYP3A4CYP1A2KMOKDM4EHPGD | |
| SCHEMBL22748300 | 0.85 | KMO (0.37) | CYP3A4CYP1A2KMOKDM4EHPGD |
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-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |