Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 6/20 | 0.39 |
| ▸ | BCR | P11274 | 5/20 | 0.39 |
| ▸ | SRC | P12931 | 3/20 | 0.39 |
| ▸ | PRKCA | P17252 | 3/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | PRKACG | P22612 | 1/20 | 0.39 |
| ▸ | PRKACB | P22694 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065281 | 0.88 | MEN1 (0.42) | MEN1KMT2ANPC1PKMALDH1A1 | |
| SCHEMBL22024791 | 0.76 | MEN1 (0.57) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL22024786 | 0.76 | PIKFYVE (0.58) | MEN1KMT2AMAPK1ABL1BCR | |
| SCHEMBL31092648 | 0.72 | TLR4 (0.63) | KMT2ANPC1PKMALDH1A1RAB9A | |
| SCHEMBL2534134 | 0.72 | TLR4 (0.63) | KMT2ANPC1PKMALDH1A1RAB9A | |
| SCHEMBL22066433 | 0.71 | PIKFYVE (0.52) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL958907 | 0.67 | ERN1 (0.57) | MEN1ALDH1A1CYP1A2CYP19A1TTK | |
| SCHEMBL29569162 | 0.67 | ERN1 (0.57) | MEN1ALDH1A1CYP1A2CYP19A1TTK | |
| SCHEMBL14474021 | 0.67 | ABCG2 (0.67) | MEN1KMT2AALDH1A1CYP1A2GGPS1 | |
| SCHEMBL21975016 | 0.66 | MEN1 (0.41) | MEN1KMT2ANPC1ALDH1A1RAB9A |
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 |