Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | AADAC | P22760 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24241054 | 1.00 | AR (0.43) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL24241065 | 0.85 | AR (0.42) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL29381761 | 0.85 | AR (0.42) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL29028923 | 0.84 | AR (0.40) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL29028936 | 0.83 | AR (0.39) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL25380172 | 0.83 | AR (0.41) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL30512450 | 0.83 | AR (0.41) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL29060035 | 0.82 | AR (0.41) | ARSMN1; SMN2CYP3A4MAPK1CES2 | |
| SCHEMBL29060253 | 0.80 | NPSR1 (0.41) | MAPK1KDM4EL3MBTL1KMT2APIM3 | |
| SCHEMBL29662676 | 0.80 | NPSR1 (0.41) | MAPK1KDM4EL3MBTL1KMT2APIM3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4525986-A1 | SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION | Vertex Pharmaceuticals Incorporated (US) | 2025-03-26 | — | — | EP | disclosed |
| EP-4476230-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2024-12-18 | — | — | EP | disclosed |
| EP-4472983-A1 | METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[ 12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL | Vertex Pharmaceuticals Incorporated (US) | 2024-12-11 | — | — | EP | disclosed |
| CN-118974058-A | Preparation method and crystalline form of (6A, 12A) -17-amino-12-methyl-6, 15-bis (trifluoromethyl) -13, 19-dioxa-3,4,18-triazatricyclo [12.3.1.12,5] nonadeca-1 (18), 2,4,14,16-pentaen-6-ol | 弗特克斯药品有限公司 | 2024-11-15 | — | — | CN | disclosed |
| WO-2023224924-A1 | SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-11-23 | — | — | WO | disclosed |
| 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 |
| WO-2023154291-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2023150236-A1 | METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[ 12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-10 | — | — | WO | 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 |