Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ACLY | P53396 | 3/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.44 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GPR39 | O43194 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309652 | 1.00 | TDP1 (0.50) | TDP1MAPK1MAPTACLYPTPN1 | |
| SCHEMBL24310225 | 0.86 | MAPT (0.52) | TDP1MAPK1MAPTPTPN1PTPN5 | |
| SCHEMBL26812913 | 0.84 | ACLY (0.48) | TDP1MAPK1MAPTACLYPTPN1 | |
| SCHEMBL26806813 | 0.84 | MAPT (0.61) | TDP1MAPK1MAPTALDH1A1GPR39 | |
| SCHEMBL26812715 | 0.82 | AR (0.47) | TDP1MAPK1MAPTPTPN1PTPN5 | |
| SCHEMBL29568154 | 0.82 | AR (0.47) | TDP1MAPK1MAPTPTPN1PTPN5 | |
| SCHEMBL26880972 | 0.82 | MAPK1 (0.46) | TDP1MAPK1MAPTALDH1A1GPR39 | |
| SCHEMBL24310547 | 0.81 | MAPT (0.50) | TDP1MAPK1MAPTPTPN1PTPN5 | |
| SCHEMBL26813005 | 0.80 | MAPT (0.56) | TDP1MAPK1MAPTALDH1A1GPR39 | |
| SCHEMBL26812825 | 0.80 | TDP1 (0.51) | TDP1MAPK1MAPTALDH1A1GPR39 |
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 |