Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10406632 | 0.76 | CA1 (0.40) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10407396 | 0.74 | NFE2L2 (0.41) | NPC1RAB9ANFE2L2ACHEMRGPRX1 | |
| SCHEMBL5111606 | 0.74 | NFE2L2 (0.39) | NPC1RAB9ANFE2L2SOS1ACHE | |
| SCHEMBL19479106 | 0.70 | APP (0.38) | NFE2L2SOS1ACHEGAAMAOB | |
| SCHEMBL7024215 | 0.66 | — | — | |
| SCHEMBL8298 | 0.66 | — | — | |
| SCHEMBL8932050 | 0.66 | NR1H2 (0.46) | NPC1RAB9ANFE2L2ACHE | |
| SCHEMBL10406555 | 0.65 | ACHE (0.39) | NPC1RAB9AALDH1A1ACHECYP1A2 | |
| SCHEMBL13621352 | 0.65 | ACHE (0.39) | NPC1RAB9ANFE2L2ACHEGAA | |
| SCHEMBL6289867 | 0.64 | SOS1 (0.58) | NFE2L2ALDH1A1SOS1SCN4AGAA |
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-4906712-A | Process for the preparation of polyarylene sulphides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-06 | — | — | US | disclosed |