Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3979409 | 0.76 | KCNA5 (0.43) | CYP2D6KCNA5SRCDPP4F2 | |
| SCHEMBL27748494 | 0.72 | DPP4 (0.42) | CYP2D6KCNA5DPP4F2LMNA | |
| SCHEMBL1082423 | 0.72 | CYP2D6 (0.43) | CYP2D6SRCDPP4F2LMNA | |
| SCHEMBL7836925 | 0.72 | AOC3 (0.46) | CYP2D6SRCDPP4F2LMNA | |
| SCHEMBL288096 | 0.71 | CYP2D6 (0.41) | CYP2D6KCNA5SRCDPP4F2 | |
| SCHEMBL8572896 | 0.71 | CYP2C19 (0.43) | CYP2D6SRCDPP4F2LMNA | |
| Hydrochloric Acid SCHEMBL7826397 | 0.71 | ALDH1A1 (0.45) | CYP2D6SRCDPP4F2LMNA | |
| SCHEMBL17841494 | 0.71 | CYP2D6 (0.41) | CYP2D6KCNA5SRCDPP4F2 | |
| SCHEMBL28827939 | 0.71 | DPP4 (0.50) | KCNA5DPP4F2LMNA | |
| Acetic Acid SCHEMBL724537 | 0.69 | CYP2C19 (0.42) | CYP2D6KCNA5SRCDPP4F2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1496971-A | Method of separating 3-aminovaleric nitrile conglomerate | 拜尔公司 | 2004-05-19 | — | — | CN | claimed |
| CN-1496971-A | Method of separating 3-aminovaleric nitrile conglomerate | 拜尔公司 | 2004-05-19 | — | — | CN | disclosed |