Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14987970 | 0.95 | MAPK1 (0.74) | MAPK1TDP1MAPTALDH1A1CYP1A2 | |
| SCHEMBL14987893 | 0.91 | MAPK1 (1.00) | MAPK1TDP1MAPTALDH1A1CYP1A2 | |
| SCHEMBL14987952 | 0.87 | MAPK1 (0.62) | MAPK1TDP1MAPTALDH1A1CYP1A2 | |
| SCHEMBL14988003 | 0.84 | MAPK1 (0.80) | MAPK1TDP1MAPTALDH1A1CYP1A2 | |
| SCHEMBL15394800 | 0.82 | AGTR1 (0.66) | MAPK1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2455945 | 0.82 | AGTR1 (0.66) | MAPK1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL12858675 | 0.82 | AGTR1 (0.66) | MAPK1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL970118 | 0.82 | AGTR1 (0.66) | MAPK1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL14987986 | 0.81 | MAPK1 (0.76) | MAPK1TDP1MAPTALDH1A1CYP1A2 | |
| SCHEMBL23730259 | 0.80 | AGTR1 (0.64) | MAPK1MAPTALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8455489-B2 | Substituted pyrimidine compositions and methods of use | EXELIXIS, INC. (US) | 2013-06-04 | — | — | US | claimed |