Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10416794 | 1.00 | NPC1 (0.40) | NPC1RAB9ACYP1A2CYP2D6MAPK1 | |
| SCHEMBL9285448 | 0.86 | NPC1 (0.55) | NPC1RAB9ACYP1A2CYP2D6MAPK1 | |
| SCHEMBL28770396 | 0.83 | CYP3A4 (0.45) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| SCHEMBL11054098 | 0.79 | ESR2 (0.53) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| SCHEMBL11054102 | 0.79 | ESR2 (0.53) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| SCHEMBL8522436 | 0.79 | CYP3A4 (0.34) | NPC1RAB9ACYP1A2CYP2D6MAPK1 | |
| SCHEMBL8522435 | 0.79 | CYP3A4 (0.34) | NPC1RAB9ACYP1A2CYP2D6MAPK1 | |
| SCHEMBL27713741 | 0.76 | NPC1 (0.40) | NPC1RAB9AMAPTKDM1AAKR1C3 | |
| SCHEMBL251315 | 0.75 | ALDH1A1 (0.41) | NPC1RAB9ACYP1A2MAPTSMN1; SMN2 | |
| SCHEMBL10896665 | 0.75 | MAPT (0.51) | NPC1RAB9ACYP1A2HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4925590-A | Derivatives of 4-cyano-2,3-difluorophenol | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-05-15 | — | — | US | disclosed |