Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2637398 | 0.88 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL3763098 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL3763101 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL3199543 | 0.75 | TSHR (0.42) | ALDH1A1TSHRTDP1CYP1A2CYP3A4 | |
| SCHEMBL4743348 | 0.74 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8003498 | 0.74 | CA1 (0.66) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL27850491 | 0.72 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL15499832 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL3917351 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL1317230 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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-2438056-A2 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | OSI Pharmaceuticals, LLC (US) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010141406-A2 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | OSI PHARMACEUTICALS, INC. (US) | 2010-12-09 | — | — | WO | disclosed |