Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA6 | P23280 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10639940 | 0.77 | NPSR1 (0.38) | CES1TSHRALDH1A1CES2ALOX15 | |
| Benzene SCHEMBL28958130 | 0.77 | TSHR (0.39) | CES1TSHRALDH1A1CES2ALOX15 | |
| SCHEMBL278265 | 0.77 | TSHR (0.39) | CES1TSHRALDH1A1CES2ALOX15 | |
| SCHEMBL6003247 | 0.77 | BBOX1 (0.33) | CES1TSHRALDH1A1CES2ALOX15 | |
| SCHEMBL6009579 | 0.72 | CA2 (0.35) | CES1TSHRALDH1A1CES2ALOX15 | |
| SCHEMBL776612 | 0.72 | CYP2D6 (0.31) | TSHRALDH1A1GLA | |
| SCHEMBL778642 | 0.72 | CES1 (0.31) | CES1CES2ALOX15TDP1CYP3A4 | |
| SCHEMBL775656 | 0.72 | CES1 (0.38) | CES1TSHRALDH1A1NAPRTCA4 | |
| SCHEMBL776257 | 0.70 | KCNN4 (0.38) | CES1CES2MMP2SMN1; SMN2 | |
| SCHEMBL776452 | 0.70 | PTPN1 (0.31) | PTPN1 |
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-1656361-B1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |