Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL65000 | 0.96 | CYP1A2 (0.53) | CYP1A2MAPK1CA12CA1CA2 | |
| Fluoride SCHEMBL1056432 | 0.92 | CYP1A2 (0.50) | CYP1A2MAPK1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL2139422 | 0.92 | CYP1A2 (0.50) | CYP1A2MAPK1CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL5964780 | 0.92 | CYP1A2 (0.50) | CYP1A2MAPK1CA12CA1CA2 | |
| Methylamine SCHEMBL6867533 | 0.88 | MAPK1 (0.48) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL9720290 | 0.80 | CYP1A2 (0.48) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL15016045 | 0.80 | CYP1A2 (0.48) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL5669823 | 0.79 | MAPK1 (0.42) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL7776722 | 0.79 | CYP1A2 (0.42) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL7054650 | 0.79 | CYP1A2 (0.42) | CYP1A2MAPK1CA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682031-B1 | Silacyclohexane-based carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHINETSU CHEMICAL CO (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-5527490-A | Silacyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0682031-A1 | Silacyclohexane carbaldehyde compounds and processes for preparing silycyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-11-15 | — | — | EP | disclosed |
| US-4855440-A | COLORFASTNESS | SHEREX CHEMICAL COMPANY, INC. (US) | 1989-08-08 | — | — | US | disclosed |