Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 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 | |
|---|---|---|---|---|
| SCHEMBL11365044 | 1.00 | CYP1A2 (0.38) | CYP1A2LMNAALDH1A1MAPK1TRPA1 | |
| SCHEMBL9542568 | 1.00 | CYP1A2 (0.38) | CYP1A2LMNAALDH1A1MAPK1TRPA1 | |
| SCHEMBL9542577 | 1.00 | CYP1A2 (0.38) | CYP1A2LMNAALDH1A1MAPK1TRPA1 | |
| SCHEMBL3276260 | 0.86 | LMNA (0.46) | LMNAALDH1A1TRPA1L3MBTL1MEN1 | |
| SCHEMBL218804 | 0.86 | LMNA (0.46) | LMNAALDH1A1TRPA1L3MBTL1MEN1 | |
| SCHEMBL13452609 | 0.86 | LMNA (0.46) | LMNAALDH1A1TRPA1L3MBTL1MEN1 | |
| SCHEMBL4615601 | 0.77 | MEN1 (0.47) | CYP1A2LMNAALDH1A1TDP1MEN1 | |
| SCHEMBL4615602 | 0.77 | MEN1 (0.47) | CYP1A2LMNAALDH1A1TDP1MEN1 | |
| Propionaldehyde SCHEMBL27864948 | 0.76 | ALDH1A1 (0.46) | CYP1A2LMNAALDH1A1MAPK1TRPA1 | |
| Benzene SCHEMBL1225180 | 0.73 | MAOB (0.58) | CYP1A2LMNAALDH1A1MAPK1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1071431-A | Asymmetric synthesis | UNION CARBIDE CHEM PLASTIC (US) | 1993-04-28 | — | — | CN | disclosed |
| WO-1993003839-A1 | ASYMMETRIC SYNTHESES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-03-04 | — | — | WO | disclosed |
| US-4268688-A | OF OLEFINS | MONSANTO COMPANY (US) | 1981-05-19 | — | — | US | disclosed |