Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL22760177 | 0.94 | AKR1C3 (0.44) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22747879 | 0.91 | HPGD (0.42) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22747853 | 0.90 | MAPT (0.42) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22760501 | 0.90 | CFTR (0.42) | KMOCFTRKDM4EHPGDCYP1A2 | |
| SCHEMBL22760131 | 0.90 | KMO (0.39) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22760499 | 0.90 | NOTUM (0.37) | KDM4EHPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL22748196 | 0.89 | EDNRA (0.42) | KMOKDM4EALDH1A1MAPTHTT | |
| SCHEMBL22747895 | 0.89 | TSHR (0.39) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22748281 | 0.88 | KMO (0.37) | KMOKDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL22760212 | 0.88 | NOTUM (0.39) | KMOCFTRKDM4EHPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |