Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3072828 | 1.00 | ALDH1A1 (0.58) | ALDH1A1EGFRMEN1KMT2ACASP1 | |
| SCHEMBL2162877 | 0.86 | ALDH1A1 (0.51) | ALDH1A1EGFRMEN1KMT2ACASP1 | |
| SCHEMBL3155590 | 0.85 | NPC1 (0.62) | ALDH1A1EGFRMEN1KMT2ACASP1 | |
| SCHEMBL22658423 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL598102 | 0.81 | NR4A2 (0.58) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL14805621 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL20206686 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL12890525 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| Hydrochloric Acid SCHEMBL25219076 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL21101485 | 0.78 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ACASP1CASP7 |
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-4010080-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | Artios Pharma Limited (GB) | 2022-06-15 | — | — | EP | disclosed |