Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL16814173 | 0.86 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2RAB9AUSP7LMNA | |
| SCHEMBL20486058 | 0.81 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2RAB9AUSP7LMNA | |
| SCHEMBL4519703 | 0.74 | — | — | |
| SCHEMBL18183949 | 0.73 | BTK (0.39) | ALDH1A1SMN1; SMN2CDK5HCAR2KDM4E | |
| SCHEMBL5875664 | 0.72 | RAB9A (0.47) | ALDH1A1SMN1; SMN2RAB9AUSP7LMNA | |
| Bromide SCHEMBL4610612 | 0.72 | TSHR (0.46) | ALDH1A1SMN1; SMN2RAB9AUSP7TSHR | |
| SCHEMBL22014925 | 0.72 | HCAR2 (0.36) | ALDH1A1SMN1; SMN2CDK5HCAR2KDM4E | |
| SCHEMBL854956 | 0.71 | — | — | |
| SCHEMBL15553434 | 0.71 | — | — | |
| SCHEMBL4781387 | 0.71 | — | — |
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-2009006389-A2 | PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. (US) | 2009-01-08 | — | — | WO | disclosed |