Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7047419 | 0.88 | MRGPRX1 (0.41) | MRGPRX1CHRM1ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL2781629 | 0.79 | MRGPRX1 (0.55) | MRGPRX1TACR1CTSKGLAALDH1A1 | |
| SCHEMBL6135225 | 0.79 | MRGPRX1 (0.55) | MRGPRX1TACR1CTSKGLAALDH1A1 | |
| SCHEMBL14364967 | 0.79 | MRGPRX1 (0.55) | MRGPRX1TACR1CTSKGLAALDH1A1 | |
| Benzylamine SCHEMBL28553128 | 0.78 | MRGPRX1 (0.55) | MRGPRX1TACR1LMNACTSKGLA | |
| SCHEMBL14414162 | 0.76 | MRGPRX1 (0.43) | MRGPRX1LMNACTSKGLAALDH1A1 | |
| SCHEMBL7045082 | 0.76 | MRGPRX1 (0.40) | MRGPRX1LMNA | |
| SCHEMBL8414585 | 0.71 | SLC18A3 (0.42) | MRGPRX1TACR1LMNAALDH1A1CYP2D6 | |
| SCHEMBL9325051 | 0.71 | MRGPRX1 (0.48) | MRGPRX1LMNACTSKGLAALDH1A1 | |
| SCHEMBL11614725 | 0.70 | ALDH1A1 (0.52) | MRGPRX1LMNACTSKGLAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0520555-B1 | Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME (GB) | 1999-09-01 | — | — | EP | disclosed |
| US-5288730-A | Antagonists of tachykinin; a prodrugs | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-22 | — | — | US | disclosed |
| EP-0520555-A1 | Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-12-30 | — | — | EP | disclosed |