Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL330236 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CHRNB2CHRNA4 | |
| SCHEMBL330711 | 0.92 | CYP3A4 (0.48) | CYP3A4 | |
| SCHEMBL4771538 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CHRNB2CHRNA4 | |
| SCHEMBL330571 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CHRNB2CHRNA4 | |
| SCHEMBL330463 | 0.86 | TACR1 (0.37) | — | |
| SCHEMBL330464 | 0.86 | TACR1 (0.37) | — | |
| SCHEMBL330630 | 0.84 | TACR1 (0.37) | — | |
| SCHEMBL330631 | 0.84 | TACR1 (0.37) | — | |
| SCHEMBL330351 | 0.83 | TACR1 (0.35) | — | |
| SCHEMBL330350 | 0.83 | TACR1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008540329-A | — | — | 2008-11-20 | — | — | JP | claimed |
| EP-1881975-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-30 | — | — | EP | claimed |
| WO-2006121218-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | WO | claimed |
| EP-1881975-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006121218-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | WO | disclosed |