Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR7 | P34969 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309384 | 1.00 | HTR1A (0.39) | HTR1AHTR7SMN1; SMN2TSHRPGR | |
| SCHEMBL29567189 | 0.92 | HTR1A (0.42) | HTR1AHTR7SMN1; SMN2TSHRKDM4E | |
| SCHEMBL24309396 | 0.92 | HTR1A (0.42) | HTR1AHTR7SMN1; SMN2TSHRKDM4E | |
| SCHEMBL29567228 | 0.91 | HTR1A (0.40) | HTR1AHTR7SMN1; SMN2TSHRKDM4E | |
| SCHEMBL24309861 | 0.91 | HTR1A (0.40) | HTR1AHTR7SMN1; SMN2TSHRKDM4E | |
| SCHEMBL26808704 | 0.89 | RAD52 (0.39) | SMN1; SMN2TSHRALDH1A1HPGDEGFR | |
| SCHEMBL26811501 | 0.88 | HTR1A (0.39) | HTR1AHTR7SMN1; SMN2TSHRKDM4E | |
| SCHEMBL24309903 | 0.88 | NOD2 (0.39) | SMN1; SMN2EGFR | |
| SCHEMBL29566801 | 0.88 | NOD2 (0.39) | SMN1; SMN2EGFR | |
| SCHEMBL26808712 | 0.88 | HTR7 (0.41) | HTR1AHTR7EGFR |
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-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |