Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11367652 | 0.93 | CYP1A2 (0.39) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL9237244 | 0.82 | MMP8 (0.40) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL3179603 | 0.80 | CNR2 (0.46) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL8910119 | 0.80 | CYP1A2 (0.40) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL11082470 | 0.78 | PIN1 (0.38) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL25308703 | 0.76 | TSHR (0.42) | CYP1A2CYP2C9CYP2C19ADORA2BPOLB | |
| SCHEMBL14166200 | 0.74 | CHRM2 (0.50) | PIN1POLBALDH1A1MEN1MAPT | |
| Bromide SCHEMBL9833291 | 0.74 | HSD17B10 (0.40) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL10772966 | 0.73 | PIN1 (0.36) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B | |
| SCHEMBL9831106 | 0.71 | TSHR (0.39) | PIN1CYP1A2CYP2C9CYP2C19ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-4262129-A | Preparation of a 3-thienylmalonic acid and the corresponding diesters | OCE-ANDENO B.V. (NL) | 1981-04-14 | — | — | US | disclosed |