Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22748334 | 0.94 | KMO (0.40) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22747879 | 0.93 | HPGD (0.42) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22760131 | 0.92 | KMO (0.39) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22747853 | 0.92 | MAPT (0.42) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22747895 | 0.90 | TSHR (0.39) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22748196 | 0.90 | EDNRA (0.42) | KMOKDM4EALDH1A1MAPTTSHR | |
| SCHEMBL22747892 | 0.90 | NOTUM (0.40) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22760212 | 0.90 | NOTUM (0.39) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22760087 | 0.90 | PPARG (0.39) | AKR1C3KMOKDM4EHPGDCYP1A2 | |
| SCHEMBL22760100 | 0.89 | SMN1; SMN2 (0.40) | KDM4EHPGDALDH1A1TSHRHSD17B10 |
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 |