Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19923199 | 0.76 | KDM4E (0.57) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL31136826 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL29820525 | 0.74 | TYR (0.45) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL24666654 | 0.74 | TYR (0.45) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL23224343 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL2892149 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EPTGS2RAB9ATSHR | |
| SCHEMBL8280034 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KDM4EPTGS2RAB9ATSHR | |
| SCHEMBL28050177 | 0.72 | KDM4E (0.57) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL8574442 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4EPTGS2RAB9ADRD1 | |
| SCHEMBL475342 | 0.72 | ALDH1A1 (0.61) | ALDH1A1KDM4ETSHRTDP1SMN1; SMN2 |
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-2007120752-A2 | 4, 5-DIHYDRO- [1, 2, 4] TRIAZOLO [4, 3-F] PTERIDINES AS PROTEIN KINASE PLK1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-25 | — | — | WO | disclosed |