Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | ATF4 | P18848 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 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 | |
|---|---|---|---|---|
| SCHEMBL12850374 | 0.90 | CYP4F2 (0.43) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL7817820 | 0.87 | HSD17B10 (0.60) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL11562060 | 0.86 | HSD17B10 (0.59) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL13675536 | 0.85 | HSD17B10 (0.46) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL3353094 | 0.85 | POLB (0.55) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL29527171 | 0.85 | POLB (0.55) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL750101 | 0.85 | HSD17B10 (0.46) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL17447882 | 0.85 | CYP4F2 (0.42) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL29540597 | 0.85 | CYP4F2 (0.42) | HSD17B10CYP4F2CYP4A11KMT2AHPGD | |
| SCHEMBL538597 | 0.84 | HSD17B10 (0.44) | HSD17B10CYP4F2CYP4A11KMT2AHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |
| EP-0894796-B1 | Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists | ADIR (FR) | 2001-06-06 | — | — | EP | disclosed |
| US-6057317-A | Heterocyclic compounds | ADIR ET COMPAGNIE (FR) | 2000-05-02 | — | — | US | disclosed |
| EP-0894796-A1 | Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists | ADIR ET COMPAGNIE (FR) | 1999-02-03 | — | — | EP | disclosed |