Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23304195 | 1.00 | LTA4H (0.41) | LTA4HKDM4EAXLKCNA5HTT | |
| SCHEMBL23301408 | 0.93 | TMEM97 (0.39) | LTA4HKDM4EAXLKCNA5HTT | |
| SCHEMBL29910559 | 0.93 | TMEM97 (0.39) | LTA4HKDM4EAXLKCNA5HTT | |
| SCHEMBL29910641 | 0.89 | SMARCA2 (0.51) | LTA4HKDM4EAXL | |
| SCHEMBL23303238 | 0.89 | SMARCA2 (0.51) | LTA4HKDM4EAXL | |
| SCHEMBL21405369 | 0.89 | SMARCA2 (0.50) | CYP2C19CYP2D6CYP2C9SIGMAR1TMEM97 | |
| SCHEMBL29838301 | 0.89 | SMARCA2 (0.50) | CYP2C19CYP2D6CYP2C9SIGMAR1TMEM97 | |
| SCHEMBL23302343 | 0.89 | CHRM4 (0.40) | LTA4HKDM4EKCNA5HTTCYP2C19 | |
| SCHEMBL29910604 | 0.89 | CHRM4 (0.40) | LTA4HKDM4EKCNA5HTTCYP2C19 | |
| SCHEMBL23304191 | 0.89 | ALDH1A1 (0.40) | KDM4ECYP2C19CYP2D6CYP2C9SIGMAR1 |
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-4054724-A1 | BIFUNCTIONAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-09-14 | — | — | EP | disclosed |