Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL29381761 | 0.85 | AR (0.42) | CYP3A4ALDH1A1ALOX15TSHRTDP1 | |
| SCHEMBL24241065 | 0.85 | AR (0.42) | CYP3A4ALDH1A1ALOX15TSHRTDP1 | |
| SCHEMBL8975900 | 0.84 | ALDH1A1 (0.49) | CYP3A4ALDH1A1ALOX15TSHRTDP1 | |
| SCHEMBL29028923 | 0.84 | AR (0.40) | CYP3A4ALDH1A1ALOX15TSHRTDP1 | |
| SCHEMBL7585436 | 0.80 | VCAM1 (0.41) | CYP3A4ALDH1A1TSHRTDP1LMNA | |
| SCHEMBL24241353 | 0.78 | KMO (0.40) | ALDH1A1TDP1HPGDLMNAGLA | |
| SCHEMBL8976064 | 0.77 | ALDH1A1 (0.45) | CYP3A4ALDH1A1ALOX15TSHRTDP1 | |
| SCHEMBL3639455 | 0.76 | ASPH (0.44) | ALDH1A1TDP1HPGDKMT2AMEN1 | |
| SCHEMBL14783265 | 0.75 | CFTR (0.46) | TDP1KMT2AMEN1 | |
| SCHEMBL29060149 | 0.74 | HDAC6 (0.41) | CYP3A4ALDH1A1ALOX15TSHRAR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4247817-A1 | MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-09-27 | — | — | EP | disclosed |
| CN-116670140-A | Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-29 | — | — | CN | disclosed |
| EP-4192829-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-06-14 | — | — | EP | disclosed |
| CN-116171154-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-05-26 | — | — | CN | disclosed |
| WO-2022109573-A1 | MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022032068-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-02-10 | — | — | WO | disclosed |