Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 2/20 | 0.58 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | BRAF | P15056 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065286 | 0.88 | BRAF (0.60) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22065290 | 0.85 | MEN1 (0.61) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22066357 | 0.85 | HDAC8 (0.58) | KCNK3KCNK9NPC1RAB9AMEN1 | |
| SCHEMBL20922103 | 0.85 | KCNK3 (0.65) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22025348 | 0.85 | CNR1 (0.55) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22024522 | 0.85 | CNR1 (0.55) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22065293 | 0.84 | MAOB (0.53) | KCNK3KCNK9NPC1RAB9AMEN1 | |
| SCHEMBL22065403 | 0.84 | ALDH1A1 (0.56) | KCNK3KCNK9MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL22065294 | 0.84 | KCNK3 (0.58) | KCNK3KCNK9NPC1RAB9AHPGD | |
| SCHEMBL22065302 | 0.84 | KIT (0.71) | KCNK3KCNK9RAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |