Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2819462 | 0.81 | ALDH1A1 (0.47) | CDK2CCNE1CDK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL10147379 | 0.80 | RAB9A (0.50) | CDK2CCNE1CDK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL12599254 | 0.80 | SMN1; SMN2 (0.42) | CDK2CCNE1CDK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL19237509 | 0.79 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL11516196 | 0.77 | HSD17B1 (0.49) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL24721349 | 0.76 | RAB9A (0.46) | CDK2CCNE1CDK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL23315098 | 0.76 | KDM4E (0.46) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL533159 | 0.76 | HDAC4 (0.43) | CDK2SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL23367934 | 0.75 | PDE2A (0.44) | CDK2CCNE1CDK5SMN1; SMN2ALDH1A1 | |
| SCHEMBL2818608 | 0.72 | HPGDS (0.54) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716122-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-11-02 | — | — | EP | claimed |
| WO-2005075435-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-08-18 | — | — | WO | claimed |
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |