Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17810248 | 0.77 | CYP2B6 (0.67) | CYP2B6MAPK1ESR1ESR2KMT2A | |
| SCHEMBL9202300 | 0.72 | CHRM2 (0.46) | CYP2B6ALDH1A1MAPTKMT2ACHRM2 | |
| SCHEMBL2221765 | 0.69 | MAPT (0.42) | ALDH1A1MAPTKMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL11539766 | 0.64 | CYP11B1 (0.39) | CYP2B6MAPK1ALDH1A1TAAR1ALOX15 | |
| SCHEMBL10958133 | 0.64 | ALDH1A1 (0.41) | CYP2B6MAPK1ALDH1A1TAAR1ALOX15 | |
| SCHEMBL19011533 | 0.64 | CYP2B6 (0.96) | CYP2B6MAPK1TAAR1ESR1ESR2 | |
| SCHEMBL30364035 | 0.64 | CYP2B6 (0.88) | CYP2B6MAPK1ALDH1A1TAAR1ALOX15 | |
| Tert-Butylbenzene SCHEMBL22264597 | 0.63 | MAPK1 (0.55) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Tert-Butylbenzene SCHEMBL22264599 | 0.63 | MAPK1 (0.55) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL96177 | 0.63 | MAPK1 (0.55) | CYP2B6MAPK1ALDH1A1TAAR1ALOX15 |
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-1849770-A1 | Production process for bicyclic tetrahydropyrrole compounds | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-31 | — | — | EP | disclosed |