Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 9/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601090 | 1.00 | CA2 (0.33) | CA2CA12CA14APLNRCTSK | |
| SCHEMBL26838901 | 0.87 | CA12 (0.35) | CA2CA12CA14APLNRCTSK | |
| SCHEMBL24298555 | 0.87 | CA12 (0.35) | CA2CA12CA14APLNRCTSK | |
| SCHEMBL3863085 | 0.83 | CA12 (0.35) | CA2CA12CA14APLNRCTSK | |
| SCHEMBL19519894 | 0.81 | CTSK (0.33) | CA2CA12CA14APLNRCTSK | |
| SCHEMBL5787436 | 0.79 | DGAT1 (0.38) | CA2CA12CA14CTSKTDP1 | |
| SCHEMBL5787433 | 0.79 | DGAT1 (0.38) | CA2CA12CA14CTSKTDP1 | |
| SCHEMBL28673190 | 0.79 | CA12 (0.31) | CA2CA12CA14 | |
| SCHEMBL12903905 | 0.78 | CA2 (0.32) | CA2CA12CA14CTSKTDP1 | |
| SCHEMBL19519893 | 0.78 | ALDH1A1 (0.33) | CA2CA12CA14CTSKTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |