Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363976 | 0.89 | CA12 (0.55) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7356070 | 0.79 | TSHR (0.55) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7354059 | 0.79 | PDE4D (0.66) | — | |
| SCHEMBL7360938 | 0.78 | ALDH1A1 (0.55) | TSHRALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL184025 | 0.74 | TSHR (0.70) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29521706 | 0.74 | TSHR (0.70) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15174514 | 0.74 | CYP1A2 (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8590467 | 0.73 | TSHR (0.68) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Chloroform SCHEMBL28859137 | 0.70 | TSHR (0.63) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7362971 | 0.70 | TP53 (0.55) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |