Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902330 | 0.87 | CDC7 (0.44) | CDC7ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL2520510 | 0.84 | CDC7 (0.46) | CDC7ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL22716058 | 0.82 | CDC7 (0.49) | CDC7ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL12092839 | 0.76 | CDC7 (0.52) | CDC7ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL3127245 | 0.75 | ALDH1A1 (0.46) | CDC7ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL15009288 | 0.74 | CDC7 (0.54) | CDC7ALDH1A1SMN1; SMN2PIM1PIM2 | |
| SCHEMBL2572340 | 0.73 | CDC7 (0.50) | CDC7ALDH1A1PIM1PIM2ITGB3 | |
| SCHEMBL4192947 | 0.73 | CDC7 (0.52) | CDC7ALDH1A1RPS6KA2PIM1PIM2 | |
| SCHEMBL29256111 | 0.71 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19KMT2ASMN1; SMN2 | |
| SCHEMBL9938009 | 0.69 | CDC7 (0.46) | CDC7CYP1A2PIM1PIM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |