Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TGM2 | P21980 | 2/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | F13A1 | P00488 | 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 | |
|---|---|---|---|---|
| SCHEMBL515529 | 0.74 | ALDH1A1 (0.56) | CYP2A6RAB9ANPC1CYP2D6CYP2C9 | |
| SCHEMBL4525438 | 0.74 | TSHR (0.43) | CYP2A6RAB9ANPC1GAASMN1; SMN2 | |
| SCHEMBL3083947 | 0.74 | CA1 (0.43) | CYP2A6RAB9ANPC1CYP2D6CYP2C9 | |
| SCHEMBL360732 | 0.72 | — | — | |
| SCHEMBL3893966 | 0.72 | CYP2D6 (0.44) | CYP2A6RAB9ANPC1CYP2D6CYP2C9 | |
| SCHEMBL5541980 | 0.70 | CYP2D6 (0.47) | CYP2A6RAB9ANPC1CYP2D6CYP2C9 | |
| SCHEMBL5541983 | 0.70 | CYP2D6 (0.47) | CYP2A6RAB9ANPC1CYP2D6CYP2C9 | |
| SCHEMBL467157 | 0.69 | — | — | |
| SCHEMBL10368399 | 0.69 | — | — | |
| SCHEMBL20335404 | 0.69 | MEN1 (0.50) | CYP2A6RAB9ANPC1GAACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689639-A | Spirolactams as ROCK inhibitor | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |