Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PLAUR | Q03405 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22982840 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL22982237 | 0.78 | PTPN1 (0.50) | TSHRHSP90AA1 | |
| SCHEMBL3379273 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL28771465 | 0.70 | SSTR4 (0.39) | — | |
| SCHEMBL7121916 | 0.69 | SMN1; SMN2 (0.77) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL4473338 | 0.69 | HSD17B10 (0.61) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL20387265 | 0.69 | HTT (0.67) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL23309717 | 0.67 | TSHR (0.54) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL20267430 | 0.67 | GAA (0.73) | ALDH1A1TSHRHTTSMN1; SMN2GAA | |
| SCHEMBL14511637 | 0.67 | PIN1 (0.50) | ALDH1A1TSHRHTTSMN1; SMN2GAA |
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 1 patent. 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 |