Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29550897 | 1.00 | KMT2A (0.44) | KMT2ACFTRPARP1KDM4EALDH1A1 | |
| SCHEMBL17675120 | 1.00 | KMT2A (0.44) | KMT2ACFTRPARP1KDM4EALDH1A1 | |
| SCHEMBL28205881 | 1.00 | KMT2A (0.44) | KMT2ACFTRPARP1KDM4EALDH1A1 | |
| SCHEMBL29551953 | 0.88 | KMT2A (0.58) | KMT2ACFTRKDM4EALDH1A1GRM1 | |
| SCHEMBL17646771 | 0.88 | KMT2A (0.58) | KMT2ACFTRKDM4EALDH1A1GRM1 | |
| SCHEMBL17648184 | 0.88 | KMT2A (0.58) | KMT2ACFTRKDM4EALDH1A1GRM1 | |
| SCHEMBL28322592 | 0.83 | KMT2A (0.41) | KMT2ACFTRGRM1MYC | |
| SCHEMBL28206500 | 0.83 | KMT2A (0.41) | KMT2ACFTRGRM1MYC | |
| SCHEMBL23345396 | 0.79 | PARP1 (0.38) | CFTRPARP1 | |
| SCHEMBL28493669 | 0.79 | CFTR (0.37) | CFTR |
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-3798214-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2022-09-14 | — | — | EP | claimed |