Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL146771 | 0.85 | MTNR1A (0.55) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL30185866 | 0.83 | MTNR1A (0.53) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL28696042 | 0.83 | MTNR1A (0.53) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL7192033 | 0.79 | MTNR1A (0.50) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL8810284 | 0.77 | GABBR2 (0.53) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL1610644 | 0.77 | MTNR1A (0.49) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL1541691 | 0.77 | GABBR2 (0.53) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL9852986 | 0.77 | MTNR1A (0.53) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL9179418 | 0.77 | MTNR1A (0.49) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 | |
| SCHEMBL1760733 | 0.77 | ESR1 (0.59) | CYP19A1MTNR1AMTNR1BSIGMAR1SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296935-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES | Speedel Pharma AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002002508-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES | SPEEDEL PHARMA AG (CH) | 2002-01-10 | — | — | WO | disclosed |
| US-5204471-A | α-trifluoromethyl-substituted, saturated bicyclic amines | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0527385-A1 | Alpha-trifluoromethyl substituted, saturated bicyclic amines and process for their preparation | BAYER AG (DE) | 1993-02-17 | — | — | EP | disclosed |