Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GALR3 | O60755 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL7150776 | 0.82 | KIF11 (0.46) | HTTSMN1; SMN2ALDH1A1ALOX15LMNA | |
| SCHEMBL7327413 | 0.81 | KIF11 (0.48) | HTTSMN1; SMN2ALDH1A1ALOX15LMNA | |
| SCHEMBL30619356 | 0.81 | KIF11 (0.48) | HTTSMN1; SMN2ALDH1A1ALOX15LMNA | |
| SCHEMBL13945797 | 0.79 | ALDH1A1 (0.50) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL31634157 | 0.79 | ALDH1A1 (0.58) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL12737451 | 0.79 | TSHR (0.62) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL446475 | 0.79 | TDP1 (0.55) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL16960436 | 0.79 | CHEK1 (0.47) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL15356395 | 0.78 | TDP1 (0.53) | HTTSMN1; SMN2MEN1GALR3KMT2A | |
| SCHEMBL16955053 | 0.78 | MEN1 (0.42) | HTTSMN1; SMN2MEN1GALR3KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752510-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | Vertex Pharmaceuticals Incorporated (US) | 2020-12-23 | — | — | EP | disclosed |
| WO-2019161078-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-22 | — | — | WO | disclosed |
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |