Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | DHFR | P00374 | 7/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYBB | P04839 | 1/20 | 0.30 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.30 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.30 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.30 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL2946541 | 0.90 | CDK1 (0.41) | CDK1CDK2DHFRADORA2AADORA1 | |
| SCHEMBL2951931 | 0.85 | PRKDC (0.42) | CDK1CDK2DHFRADORA2AADORA1 | |
| SCHEMBL2953661 | 0.80 | CDK1 (0.33) | CDK1CDK2 | |
| SCHEMBL2953664 | 0.75 | — | — | |
| SCHEMBL3040608 | 0.74 | F9 (0.34) | ADORA2AADORA1KDM4ESMN1; SMN2 | |
| SCHEMBL2946044 | 0.73 | MAPT (0.43) | CDK1CDK2DHFRADORA2AADORA1 | |
| SCHEMBL2952943 | 0.72 | MAP2K7 (0.45) | — | |
| SCHEMBL2946546 | 0.71 | PI4KA (0.37) | CDK1CDK2DHFRHRH4 | |
| SCHEMBL2955281 | 0.70 | CAMKK2 (0.45) | ADORA2APARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2946368 | 0.70 | PRKDC (0.40) | CDK1CDK2DHFRADORA2AADORA1 |
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 |