Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6584385 | 1.00 | ADRB1 (0.56) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL6582931 | 0.91 | ADRB1 (0.63) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL6583818 | 0.82 | ADRB1 (0.56) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL1285561 | 0.81 | MTNR1A (0.62) | — | |
| SCHEMBL6581769 | 0.81 | MTNR1A (0.62) | — | |
| SCHEMBL6582946 | 0.81 | MTNR1A (0.62) | — | |
| SCHEMBL31051889 | 0.80 | ADRB1 (0.54) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL31052160 | 0.79 | ADRB1 (0.63) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL8124793 | 0.78 | ADRA1D (0.59) | ADRB1HTR1AALDH1A1LMNACYP3A4 | |
| Ammonia Solution, Strong SCHEMBL9034232 | 0.78 | ADRB1 (0.61) | ADRB1HTR1AALDH1A1LMNACYP3A4 |
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-1189900-B1 | HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2004-01-14 | — | — | EP | disclosed |