Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GPR39 | O43194 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310193 | 1.00 | MAPK1 (0.48) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL26812723 | 0.86 | MAPT (0.50) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL26812951 | 0.85 | MAPK1 (0.47) | MAPK1TDP1MAPTALDH1A1GPR39 | |
| SCHEMBL26812838 | 0.84 | MAPK1 (0.46) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL26813002 | 0.84 | GPR39 (0.53) | MAPK1TDP1MAPTALDH1A1GPR39 | |
| SCHEMBL26812825 | 0.82 | TDP1 (0.51) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL26806813 | 0.82 | MAPT (0.61) | MAPK1TDP1MAPTALDH1A1GPR39 | |
| SCHEMBL29566672 | 0.79 | MAPK1 (0.39) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL24310192 | 0.79 | MAPK1 (0.39) | MAPK1TDP1MAPTLOXL2ALDH1A1 | |
| SCHEMBL26812946 | 0.79 | MAPK1 (0.47) | MAPK1TDP1MAPTLOXL2ALDH1A1 |
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 |