Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.30 |
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 SCHEMBL5117865 | 0.98 | GABRA1 (0.35) | GABRA1GABRB2ALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL4649846 | 0.79 | TAAR1 (0.41) | ALDH1A1APOBEC3AAPOBEC3GTAAR1KDM4E | |
| Bromide SCHEMBL5127807 | 0.78 | TAAR1 (0.40) | ALDH1A1APOBEC3AAPOBEC3GTAAR1KDM4E | |
| SCHEMBL3667640 | 0.73 | CALM1 (0.44) | GABRA1GABRB2ALDH1A1TSHRMAPT | |
| SCHEMBL25260415 | 0.73 | CYP1A2 (0.47) | TDP1TSHRACHECYP2C19LMNA | |
| SCHEMBL4649332 | 0.70 | ALDH1A1 (0.42) | ALDH1A1KDM4ETDP1TSHRMAPT | |
| SCHEMBL1453966 | 0.70 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1TAAR1TSHR | |
| SCHEMBL3158096 | 0.70 | GABRA1 (0.73) | GABRA1GABRB2ALDH1A1TAAR1TDP1 | |
| SCHEMBL29515459 | 0.70 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1TAAR1TSHR | |
| Bromide SCHEMBL5117868 | 0.69 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1TSHRACHE |
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 |