Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11698533 | 0.82 | CYP3A4 (0.41) | HPGD | |
| SCHEMBL4850585 | 0.82 | CYP1A2 (0.56) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31012122 | 0.82 | CYP1A2 (0.56) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL25908639 | 0.81 | MTNR1A (0.38) | NPC1RAB9AHPGD | |
| SCHEMBL2108040 | 0.79 | CYP1A2 (0.48) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL22468792 | 0.79 | CYP1A2 (0.43) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL22468793 | 0.79 | CYP1A2 (0.43) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL17513032 | 0.78 | KMT2A (0.42) | CYP1A2CYP2D6KMT2AMEN1TDP1 | |
| SCHEMBL5881107 | 0.78 | CYP3A4 (0.39) | KMT2AMEN1HPGD | |
| SCHEMBL14803712 | 0.78 | CYP1A2 (0.47) | NPC1RAB9ACYP1A2CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035131-A2 | FLUOROSURFACTANTS | Merck Patent GmbH (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008003446-A2 | FLUOROSURFACTANTS | MERCK PATENT GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |