Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23006678 | 0.91 | TGFBR1 (0.33) | CYP19A1NPC1RAB9ACNR1CNR2 | |
| SCHEMBL22982322 | 0.83 | CFTR (0.35) | — | |
| SCHEMBL22982683 | 0.79 | MDM2 (0.32) | CNR1CNR2PTGER2SCN10A | |
| SCHEMBL21244591 | 0.79 | SMYD3 (0.34) | CA1CA2CA9SCN10A | |
| SCHEMBL21275110 | 0.79 | SMYD3 (0.34) | CA1CA2CA9SCN10A | |
| SCHEMBL22982348 | 0.78 | CHRM3 (0.36) | CYP19A1CNR1CNR2TSHRMEN1 | |
| SCHEMBL22982748 | 0.78 | ALDH1A1 (0.32) | CA1CA2CA7MEN1GAA | |
| SCHEMBL23006686 | 0.78 | GPR119 (0.33) | CYP19A1CNR1CNR2KDM4EPKM | |
| SCHEMBL22983465 | 0.78 | DPP4 (0.33) | CYP19A1CNR1CNR2MEN1GAA | |
| SCHEMBL21244795 | 0.77 | SMYD3 (0.36) | CA1CA2CA9MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |
| WO-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |