Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7390898 | 0.88 | CA12 (0.59) | SMPD1TSHRCA12CA1CA2 | |
| SCHEMBL7352361 | 0.83 | TAS1R3 (0.37) | SMPD1MAPK1PDE4B | |
| SCHEMBL7361075 | 0.82 | SMPD1 (0.46) | SMPD1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL7362971 | 0.81 | TP53 (0.55) | SMPD1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL7340408 | 0.81 | PDE4B (0.57) | SMPD1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL2937932 | 0.80 | SMPD1 (0.56) | SMPD1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL7332411 | 0.80 | SMPD1 (0.63) | SMPD1TP53PRSS1PDE4BPDE4D | |
| SCHEMBL3596786 | 0.78 | MAPK1 (0.67) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9308281 | 0.78 | SMPD1 (0.71) | SMPD1PRSS1PDE4BPDE4DPDE4A | |
| SCHEMBL7356773 | 0.78 | MAPK1 (0.51) | SMPD1CYP1A2CYP3A4CYP2C9TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741707-B1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE POULENC RORER LTD (GB) | 1998-04-01 | — | — | EP | disclosed |
| EP-0741707-A1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020578-A1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1995-08-03 | — | — | WO | disclosed |