Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F9 | P00740 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2951931 | 0.76 | PRKDC (0.42) | ADORA2AADORA1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2946541 | 0.74 | CDK1 (0.41) | ADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL2946549 | 0.74 | CDK1 (0.32) | ADORA2AADORA1SMN1; SMN2KDM4E | |
| SCHEMBL2953661 | 0.72 | CDK1 (0.33) | — | |
| SCHEMBL2953664 | 0.71 | — | — | |
| SCHEMBL3040612 | 0.70 | PI4KA (0.42) | F9CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1824296 | 0.68 | KDM4E (0.46) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3033663 | 0.67 | DHFR (0.34) | — | |
| SCHEMBL2955281 | 0.67 | CAMKK2 (0.45) | ADORA2ASMN1; SMN2HSP90AA1HTT | |
| SCHEMBL2953250 | 0.67 | CARM1 (0.40) | ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010111406-A2 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYRIAD PHARMACEUTICALS, INC. (US) | 2010-09-30 | — | — | WO | claimed |