Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 2/20 | 0.36 |
| ▸ | FADS1 | O60427 | 3/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18826430 | 1.00 | IDH1 (0.44) | IDH1MAOAHTR1ACETPFADS1 | |
| SCHEMBL18826417 | 1.00 | IDH1 (0.44) | IDH1MAOAHTR1ACETPFADS1 | |
| SCHEMBL20780427 | 0.85 | FADS1 (0.50) | IDH1FADS1PTGDR2 | |
| SCHEMBL20794023 | 0.85 | FADS1 (0.50) | IDH1FADS1PTGDR2 | |
| SCHEMBL20780445 | 0.85 | IDH1 (0.39) | IDH1FADS1ALDH1A1 | |
| SCHEMBL20794440 | 0.83 | HSD11B1 (0.41) | IDH1MAOAFADS1ALDH1A1MEN1 | |
| SCHEMBL20794036 | 0.82 | MDM2 (0.48) | FADS1ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL20780431 | 0.82 | FADS1 (0.40) | FADS1PTGDR2 | |
| SCHEMBL20780415 | 0.82 | CYP3A4 (0.45) | IDH1ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL13547556 | 0.82 | CYP3A4 (0.45) | IDH1ALDH1A1MEN1TSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023136942-A1 | SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS | AERIE PHARMACEUTICALS, INC. (US) | 2023-07-20 | — | — | WO | disclosed |