Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5127807 | 0.98 | TAAR1 (0.40) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| SCHEMBL4649328 | 0.79 | GABRA1 (0.36) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| SCHEMBL31658959 | 0.79 | CHRM2 (0.50) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| Bromide SCHEMBL5117865 | 0.78 | GABRA1 (0.35) | TAAR1APOBEC3AAPOBEC3GTSHRALDH1A1 | |
| Bromide SCHEMBL22265059 | 0.77 | CHRM2 (0.48) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| Bretylium SCHEMBL15438 | 0.73 | LMNA (0.65) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| Bretylium SCHEMBL542733 | 0.73 | LMNA (0.65) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| Bretylium SCHEMBL29688247 | 0.73 | LMNA (0.65) | TAAR1CYP2D6LMNACYP3A4MAPK1 | |
| SCHEMBL25260415 | 0.73 | CYP1A2 (0.47) | CYP2D6LMNATSHRCYP1A2CYP2C19 | |
| Bretylium SCHEMBL6227453 | 0.72 | LMNA (0.63) | TAAR1CYP2D6LMNACYP3A4MAPK1 |
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-1966138-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007079929-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |