Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AS3MT | Q9HBK9 | 3/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 2/20 | 0.39 |
| ▸ | EDNRA | P25101 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23886826 | 1.00 | AS3MT (0.47) | AS3MTSCN9ACNR1CNR2NSD2 | |
| SCHEMBL28995442 | 0.82 | SCN9A (0.40) | SCN9ACNR1CNR2ALDH1A1TSHR | |
| SCHEMBL30176384 | 0.81 | SCN9A (0.36) | SCN9ACNR1CNR2ALDH1A1TSHR | |
| SCHEMBL23887039 | 0.81 | SCN9A (0.36) | SCN9ACNR1CNR2ALDH1A1TSHR | |
| SCHEMBL23886968 | 0.80 | AS3MT (0.54) | AS3MTNSD2EDNRBEDNRAMAOB | |
| SCHEMBL30337805 | 0.79 | SCN9A (0.45) | SCN9ACNR1CNR2ALDH1A1RORC | |
| SCHEMBL23886885 | 0.78 | SCN9A (0.47) | SCN9ACNR1CNR2MAOBMAOA | |
| SCHEMBL30337752 | 0.78 | SCN9A (0.47) | SCN9ACNR1CNR2MAOBMAOA | |
| SCHEMBL23898529 | 0.77 | GAA (0.42) | CNR1CNR2ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL23898492 | 0.76 | CNR1 (0.41) | AS3MTCNR1CNR2EDNRBEDNRA |
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-115916749-A | Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |
| EP-4126817-A1 | SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN | Vertex Pharmaceuticals Incorporated (US) | 2023-02-08 | — | — | EP | disclosed |