Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4866884 | 0.99 | SLC22A1 (0.59) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL28739214 | 0.84 | SLC22A1 (0.68) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL5205111 | 0.82 | SLC6A4 (0.64) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| Hydrochloric Acid SCHEMBL4859953 | 0.81 | SLC6A4 (0.62) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL6167477 | 0.81 | SLC6A4 (0.62) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL5204648 | 0.80 | CNR2 (0.41) | SLC22A1OPRM1CHRM2CHRM1CHRM4 | |
| Hydrochloric Acid SCHEMBL4864833 | 0.79 | CNR2 (0.41) | SLC22A1OPRM1CHRM2CHRM1CHRM4 | |
| SCHEMBL28739222 | 0.79 | SLC22A1 (0.62) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL5880615 | 0.78 | SLC6A2 (0.47) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 | |
| SCHEMBL13950720 | 0.78 | SLC22A1 (0.72) | SLC22A1SLC6A4SLC6A2OPRM1CHRM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006523182-A | — | — | 2006-10-12 | — | — | JP | claimed |
| EP-1572653-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2005-09-14 | — | — | EP | claimed |
| WO-2004063161-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2004-07-29 | — | — | WO | claimed |
| EP-1572653-B1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | GRUENENTHAL GMBH (DE) | 2007-11-21 | — | — | EP | disclosed |
| EP-1572653-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004063161-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2004-07-29 | — | — | WO | disclosed |