Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 12/20 | 0.65 |
| ▸ | MAOB | P27338 | 12/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30966021 | 1.00 | MAOA (0.65) | MAOAMAOBCYP2A6GSTP1GRM5 | |
| SCHEMBL12901556 | 0.87 | MAOA (0.65) | MAOAMAOBCYP2A6GRM5PRKCI | |
| SCHEMBL30966017 | 0.87 | MAOA (0.65) | MAOAMAOBCYP2A6GRM5PRKCI | |
| SCHEMBL7586081 | 0.84 | MAOA (0.61) | MAOAMAOBCYP2A6GRM5PRKCI | |
| SCHEMBL30965992 | 0.82 | MAOA (0.49) | MAOAMAOBCYP2A6HRH3GPR174 | |
| SCHEMBL10175553 | 0.81 | PARP10 (0.53) | MAOAMAOBMAPK14 | |
| SCHEMBL21758061 | 0.79 | HRH3 (0.62) | MAOAMAOBMAPK14HRH3 | |
| SCHEMBL30067289 | 0.79 | MAOB (1.00) | MAOAMAOBGRM5 | |
| SCHEMBL3501723 | 0.79 | MAOB (1.00) | MAOAMAOBGRM5 | |
| SCHEMBL120284 | 0.78 | MAOB (0.58) | MAOAMAOBCYP2A6HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007075772-A2 | COMPOUNDS, SCREENS, AND METHODS OF TREATMENT | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-07-05 | — | — | WO | disclosed |
| EP-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| US-6022895-A | Substituted amino compounds and their use as substances having an analgesic effect | GRUENENTHAL GMBH (DE) | 2000-02-08 | — | — | US | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |