Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.33 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 4/20 | 0.33 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065228 | 0.89 | PRKCA (0.46) | ABL1PDGFRBPIKFYVEBCRPDGFRA | |
| SCHEMBL22066368 | 0.80 | TGFBR1 (0.51) | CYP3A4ABL1PDGFRBPIKFYVEBCR | |
| SCHEMBL22024557 | 0.77 | PIKFYVE (0.61) | ABL1PDGFRBPIKFYVEBCRPRKCA | |
| SCHEMBL22065428 | 0.73 | POLB (0.58) | ABL1PDGFRBPIKFYVEBCRPRKCA | |
| SCHEMBL22066063 | 0.70 | PIKFYVE (0.51) | CYP3A4PIKFYVEPOLBACP1LMNA | |
| SCHEMBL22065349 | 0.70 | PIKFYVE (0.47) | CYP3A4ABL1PDGFRBPIKFYVEBCR | |
| SCHEMBL21975712 | 0.67 | ALDH1A1 (0.38) | CYP3A4ABL1BCRPRKCAALDH1A1 | |
| SCHEMBL22065348 | 0.65 | PIKFYVE (0.50) | CYP3A4ABL1PIKFYVEBCRACP1 | |
| SCHEMBL22066383 | 0.65 | TGFBR1 (0.48) | CYP3A4ADORA2AADORA1PIKFYVELATS1 | |
| SCHEMBL9597648 | 0.64 | ALDH1A1 (0.41) | ALDH1A1MAPK1POLBSMN1; SMN2RAB9A |
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-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |