Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPX4 | P36969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL477493 | 0.79 | PKM (0.50) | ALDH1A1HCAR3HDAC1HDAC2MEN1 | |
| SCHEMBL477491 | 0.79 | PKM (0.50) | ALDH1A1HCAR3HDAC1HDAC2MEN1 | |
| SCHEMBL5509028 | 0.78 | POLB (0.55) | ALDH1A1OPRM1MEN1KMT2AGAA | |
| SCHEMBL12394221 | 0.77 | HCAR3 (0.46) | ALDH1A1KDM4EHCAR3HDAC1HDAC2 | |
| SCHEMBL13879816 | 0.74 | HCAR3 (0.51) | ALDH1A1KDM4EHCAR3HDAC1HDAC2 | |
| SCHEMBL11845573 | 0.74 | HCAR3 (0.48) | ALDH1A1HCAR3RAB9ANPC1MAPT | |
| SCHEMBL2637165 | 0.73 | RAB9A (0.44) | ALDH1A1KDM4EHCAR3HDAC1HDAC2 | |
| SCHEMBL11566506 | 0.73 | GBA1 (0.45) | HCAR3RAB9ANPC1MAPT | |
| SCHEMBL4244397 | 0.72 | ELANE (0.48) | ALDH1A1KDM4EHDAC1HDAC2HDAC6 | |
| SCHEMBL11446404 | 0.71 | HTR2C (0.39) | ALDH1A1KDM4EHCAR3HDAC1HDAC2 |
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-2049490-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | Astra Zeneca AB (SE) | 2009-04-22 | — | — | EP | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |