Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL8114202 | 0.83 | HTT (0.64) | SIGMAR1HTTALDH1A1 | |
| SCHEMBL6944202 | 0.83 | HTT (0.64) | SIGMAR1HTTALDH1A1 | |
| SCHEMBL10469619 | 0.82 | HRH3 (0.55) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL9275661 | 0.81 | HRH3 (0.54) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL9279775 | 0.81 | HRH3 (0.54) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL5256238 | 0.79 | HTT (0.69) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL12551204 | 0.79 | HRH3 (0.49) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL3615427 | 0.78 | TAAR1 (0.52) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL14824943 | 0.78 | HRH3 (0.48) | HRH3SIGMAR1HTTTAAR1ALDH1A1 | |
| SCHEMBL43459 | 0.78 | HRH3 (0.48) | HRH3SIGMAR1HTTTAAR1ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2455377-B1 | Synthesis of fentanyl analogs | HAMELN RDS GMBH (DE) | 2014-07-09 | — | — | EP | disclosed |
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| CN-1110685-A | Nitrogen-containing spiro ring | MERCK & CO INC (US) | 1995-10-25 | — | — | CN | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |
| EP-0141968-B1 | PYRROLYLAMINOPIPERIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-05-18 | — | — | EP | disclosed |
| US-4546105-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-10-08 | — | — | US | disclosed |
| EP-0141968-A1 | Pyrrolylaminopiperidines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-05-22 | — | — | EP | disclosed |
| US-4452803-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1984-06-05 | — | — | US | disclosed |