Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CEL | P19835 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10709504 | 1.00 | CYP2C9 (0.38) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL13136427 | 0.96 | CYP2C9 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL3437336 | 0.95 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9247403 | 0.93 | RIPK1 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9247410 | 0.93 | RIPK1 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL13110479 | 0.92 | CYP2C9 (0.34) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277586 | 0.92 | TLR4 (0.35) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL20346132 | 0.92 | TYR (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL20346141 | 0.92 | TLR4 (0.35) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL16140696 | 0.90 | TLR4 (0.37) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0133489-B1 | NEMATIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1988-01-20 | — | — | EP | disclosed |
| US-4637897-A | Nematic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-01-20 | — | — | US | disclosed |
| EP-0133489-A2 | Nematic compounds | MERCK PATENT GmbH (DE) | 1985-02-27 | — | — | EP | disclosed |