Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5665323 | 0.88 | MEN1 (0.43) | EGFRSRCPTGS2ALDH1A1GAA | |
| SCHEMBL30542066 | 0.88 | MEN1 (0.43) | EGFRSRCPTGS2ALDH1A1GAA | |
| SCHEMBL6682377 | 0.85 | PTGS2 (0.50) | PTGS2CNR1ALDH1A1GAAKDM4E | |
| SCHEMBL6615867 | 0.81 | MPO (0.46) | EGFRSRCPTGS2ALDH1A1GAA | |
| SCHEMBL4189420 | 0.81 | EGFR (0.56) | EGFRSRCPTGS2CNR1ALDH1A1 | |
| SCHEMBL5960508 | 0.81 | EGFR (0.56) | EGFRSRCPTGS2CNR1ALDH1A1 | |
| SCHEMBL9051693 | 0.79 | EGFR (0.66) | EGFRSRCPTGS2CNR1ALDH1A1 | |
| SCHEMBL6616975 | 0.79 | BCHE (0.43) | EGFRSRCALDH1A1GAATDP1 | |
| SCHEMBL6614361 | 0.78 | KIF11 (0.45) | ALDH1A1MEN1MAPTKMT2AKIF11 | |
| SCHEMBL6615449 | 0.78 | BCHE (0.42) | EGFRSRCALDH1A1GAATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1495016-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE | Astex Technology Limited (GB) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003087087-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE | ASTEX TECHNOLOGY LIMITED (GB) | 2003-10-23 | — | — | WO | disclosed |