Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511366 | 0.97 | RAB9A (0.44) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL9509022 | 0.96 | RAB9A (0.49) | RAB9ACYP3A4HRH3CYP2C9NPC1 | |
| SCHEMBL9510031 | 0.95 | ACACB (0.44) | RAB9ACYP2D6HRH3CYP2C9MCHR1 | |
| SCHEMBL9512418 | 0.93 | RAB9A (0.47) | RAB9ACYP3A4HRH3CYP2C9NPC1 | |
| SCHEMBL11282774 | 0.93 | RAB9A (0.51) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL9508732 | 0.91 | RAB9A (0.45) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL9512332 | 0.91 | RAB9A (0.45) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL9512374 | 0.91 | ACACB (0.46) | RAB9ACYP2D6HRH3CYP2C9ACACB | |
| SCHEMBL11285603 | 0.91 | RAB9A (0.49) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL11278071 | 0.89 | RARB (0.49) | RAB9ACYP3A4CYP2D6HRH3CYP2C9 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |