Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | RAF1 | P04049 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.52 |
| ▸ | TUBB | P07437 | 2/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.52 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.52 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.52 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.52 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.52 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.52 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.52 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20081366 | 0.94 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL23316789 | 0.82 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20081627 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20177285 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL23316771 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20081578 | 0.79 | RAF1 (0.33) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20081615 | 0.79 | TUBB4A (0.72) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL23316631 | 0.78 | RAF1 (0.33) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20081634 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL20081635 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19RAF1CDK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3312163-B1 | DEUTERIUM-SUBSTITUTED DEHYDROPHENYLAHISTIN-LIKE COMPOUNDS, PREPARATION METHOD THEREOF AND USE IN PREPARATION OF ANTITUMOR DRUG | MARINE BIOMEDICAL RES INST QINGDAO CO LTD (CN) | 2021-05-05 | — | — | EP | disclosed |