Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15518770 | 0.80 | CYP2D6 (0.50) | POLBNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6351728 | 0.76 | RAB9A (0.49) | CYP2C19CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25210513 | 0.76 | ALDH1A1 (0.50) | POLBNPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL16316363 | 0.73 | CYP3A4 (0.40) | CYP2C19CYP3A4POLBMAPK1 | |
| SCHEMBL26319022 | 0.73 | HCRTR2 (0.37) | HCRTR2ALDH1A1MEN1KMT2A | |
| SCHEMBL27987768 | 0.72 | GFER (0.48) | CYP2C19CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3261230 | 0.72 | LMNA (0.47) | POLBNPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL3262854 | 0.72 | LMNA (0.47) | POLBNPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL6024234 | 0.72 | LMNA (0.47) | POLBNPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL31646490 | 0.71 | EPHX2 (0.41) | CYP2C19POLBNPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101395131-B | Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof | KYORIN SEIYAKU KK | 2012-11-14 | — | — | CN | claimed |
| CN-101395131-A | Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof | KYORIN SEIYAKU KK (JP) | 2009-03-25 | — | — | CN | claimed |
| CN-101395131-B | Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof | KYORIN SEIYAKU KK | 2012-11-14 | — | — | CN | disclosed |
| CN-101395131-A | Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof | KYORIN SEIYAKU KK (JP) | 2009-03-25 | — | — | CN | disclosed |