Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL5800534 | 0.78 | ADRB1 (0.58) | CYP1A2CYP2C9EPHX2CYP2C19KDM4E | |
| SCHEMBL1834932 | 0.74 | PRKCQ (0.49) | CYP1A2CYP2C9HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL233710 | 0.74 | EPHX2 (1.00) | EPHX2HSD17B10TSHRNCF1 | |
| SCHEMBL2850464 | 0.74 | HRH3 (0.59) | CYP1A2CYP2C9EPHX2HSD17B10KDM4E | |
| Piperazine SCHEMBL5324447 | 0.73 | EPHX2 (0.97) | EPHX2HSD17B10TSHRNCF1 | |
| Hydrochloric Acid SCHEMBL10319192 | 0.73 | EPHX2 (0.97) | EPHX2HSD17B10TSHRNCF1 | |
| SCHEMBL5799183 | 0.72 | EPHX2 (0.61) | CYP1A2CYP2C9EPHX2CYP2C19KDM4E | |
| SCHEMBL9881935 | 0.72 | PRKCQ (0.53) | CYP1A2CYP2C9EPHX2CYP2C19ADRB2 | |
| Hydrochloric Acid SCHEMBL3269944 | 0.72 | CYP1A2 (0.60) | CYP1A2CYP2C9HSD17B10KDM4EALDH1A1 | |
| SCHEMBL5356587 | 0.69 | EPHX2 (0.89) | EPHX2HSD17B10TSHRNCF1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644358-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005007648-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |