Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4987570 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL4941832 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL5534100 | 0.79 | TSHR (0.49) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL1002129 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| Potassium SCHEMBL30882886 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| Hydrochloric Acid SCHEMBL20576674 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL28004742 | 0.77 | KDM4E (0.48) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL8802426 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| Bromide SCHEMBL6851251 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL28494576 | 0.77 | HSP90AA1 (0.39) | TSHRHSP90AA1HSP90AB1KMT2ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071543-B | Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use | 三进制药株式会社 | 2021-07-16 | — | — | CN | disclosed |
| EP-2576566-A1 | THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS | MSD Oss B.V. (NL) | 2013-04-10 | — | — | EP | disclosed |
| EP-1966159-A2 | CHEMICAL COMPOUNDS | AstraZeneca AB (SE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071963-A2 | QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |