Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31197675 | 0.71 | NOTUM (0.42) | NOTUMMAPTTAAR1LMNAHSP90AA1 | |
| SCHEMBL31292095 | 0.69 | NOTUM (0.50) | NOTUMHSP90AA1HSD17B3NPC1RAB9A | |
| SCHEMBL31292601 | 0.68 | NOTUM (0.46) | NOTUMMAPTTAAR1LMNAHSP90AA1 | |
| SCHEMBL861946 | 0.65 | MAOA (0.44) | NOTUMMAPTHSD17B3NPC1RAB9A | |
| SCHEMBL29676965 | 0.65 | MAPK1 (0.64) | NOTUMRIPK1NAMPTMAPK1 | |
| SCHEMBL21947725 | 0.65 | CYP2C19 (0.44) | MAPTLMNAMAPK1PDK1PDK2 | |
| SCHEMBL5183098 | 0.65 | MAPK1 (0.64) | NOTUMRIPK1NAMPTMAPK1 | |
| SCHEMBL6204851 | 0.65 | MAPK1 (0.52) | NOTUMRIPK1NAMPTMAPK1MEN1 | |
| SCHEMBL27570729 | 0.64 | CYP2C19 (0.47) | MAPTMAPK1PDK1PDK2PDK3 | |
| SCHEMBL20609569 | 0.63 | ALDH1A1 (0.42) | NOTUMMAPTTAAR1LMNAHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113993591-A | Novel EGFR inhibitors | 豪夫迈·罗氏有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-113993590-A | Novel EGFR inhibitors | 豪夫迈·罗氏有限公司 | 2022-01-28 | — | — | CN | disclosed |