Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 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 | |
|---|---|---|---|---|
| SCHEMBL5354858 | 0.83 | ACHE (0.43) | CYP1A2ELANE | |
| SCHEMBL6503113 | 0.81 | NOTUM (0.40) | CYP1A2 | |
| SCHEMBL6075294 | 0.80 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL6075654 | 0.80 | DRD2 (0.39) | CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL6075690 | 0.80 | CYP1A2 (0.56) | CYP1A2 | |
| SCHEMBL1151568 | 0.73 | ALDH1A1 (0.59) | ALDH1A1GAAHTR2AHTR2CHTR2B | |
| SCHEMBL6501529 | 0.73 | HTR7 (0.46) | ALDH1A1 | |
| SCHEMBL1150394 | 0.71 | ALDH1A1 (0.49) | ALDH1A1GAAHTR2AHTR2CHTR2B | |
| SCHEMBL14457835 | 0.70 | CASP1 (0.46) | CASP1CASP7S1PR5 | |
| SCHEMBL6075563 | 0.69 | KDM4E (0.55) | ALDH1A1GAACYP1A2 |
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-1278729-A1 | BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS | GlaxoSmithKline S.p.A. (IT) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083454-A1 | BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS | GLAXOSMITHKLINE S.P.A. (IT) | 2001-11-08 | — | — | WO | disclosed |