Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165508 | 0.93 | CYP19A1 (0.45) | CNR1CYP19A1ALDH1A1HTT | |
| SCHEMBL3165454 | 0.91 | EPHX2 (0.43) | CNR1ALDH1A1HTTEPHX2FKBP5 | |
| SCHEMBL11539443 | 0.82 | ACP3 (0.41) | CNR1IDO1TDO2ALDH1A1EPHX2 | |
| SCHEMBL11542571 | 0.81 | CNR1 (0.43) | CNR1CYP19A1IDO1TDO2S1PR1 | |
| SCHEMBL3695767 | 0.79 | CYP19A1 (0.59) | CYP19A1IDO1TDO2S1PR1S1PR3 | |
| SCHEMBL673181 | 0.79 | CYP19A1 (0.59) | CYP19A1IDO1TDO2S1PR1S1PR3 | |
| SCHEMBL11538273 | 0.77 | CNR1 (0.42) | CNR1CYP19A1IDO1TDO2S1PR1 | |
| SCHEMBL3175909 | 0.74 | MEN1 (0.46) | ALDH1A1HTT | |
| SCHEMBL11540437 | 0.74 | NR3C1 (0.43) | CNR1CYP19A1 | |
| SCHEMBL3165240 | 0.74 | EPHX2 (0.46) | IDO1TDO2ALDH1A1EPHX2PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4154731-A | ANTISECRETORY AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-05-15 | — | — | US | disclosed |
| US-4138488-A | Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents | SCHERING CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |