Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.35 |
| ▸ | CPS1 | P31327 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | CDC42 | P60953 | 1/20 | 0.31 |
| ▸ | RAC1 | P63000 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18054357 | 0.87 | PTGS2 (0.36) | TDP1AKR1C3AKR1C2PTGS2SMN1; SMN2 | |
| SCHEMBL18052939 | 0.86 | AKR1C3 (0.39) | L3MBTL1AKR1C3AKR1C2TUBB1CPS1 | |
| SCHEMBL20224058 | 0.86 | — | — | |
| SCHEMBL18052933 | 0.84 | CA12 (0.37) | L3MBTL1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL20977767 | 0.84 | ALDH1A1 (0.41) | L3MBTL1AKR1C3AKR1C2TUBB1CPS1 | |
| SCHEMBL18052945 | 0.82 | AKR1C3 (0.39) | AKR1C3AKR1C2TUBB1CPS1CYP1A2 | |
| SCHEMBL18053007 | 0.80 | ALDH1A1 (0.35) | L3MBTL1AKR1C3AKR1C2TUBB1CPS1 | |
| SCHEMBL18052989 | 0.76 | FFAR1 (0.37) | TDP1AKR1C3AKR1C2CPS1PTGS2 | |
| SCHEMBL20977908 | 0.74 | TUBB1 (0.38) | AKR1C3AKR1C2TUBB1HPGDSMN1; SMN2 | |
| SCHEMBL20224039 | 0.74 | ABL1 (0.32) | AKR1C3AKR1C2TUBB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3261638-B1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIOSCIENCE INC (US) | 2019-05-08 | — | — | EP | disclosed |