Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7755239 | 0.79 | CHRM3 (0.38) | ALDH1A1GPR52HTTSLC13A5CHRM3 | |
| SCHEMBL9375004 | 0.74 | KDM4E (0.37) | ALDH1A1KDM4EGPR52CHRM3LMNA | |
| Benzylic Acid SCHEMBL27827388 | 0.65 | CYP2C9 (0.53) | ALDH1A1KDM4ETSHRHTTCHRM3 | |
| SCHEMBL29262412 | 0.65 | ALDH1A1 (0.49) | ALDH1A1KDM4ETSHRHTTLMNA | |
| SCHEMBL4902287 | 0.64 | CYP19A1 (0.46) | HTTL3MBTL1KMT2A | |
| SCHEMBL4910358 | 0.62 | KDM4E (0.35) | ALDH1A1KDM4ETSHRKMT2AMEN1 | |
| SCHEMBL19857578 | 0.61 | COMT (0.35) | ALDH1A1TSHRHTTSLC13A5L3MBTL1 | |
| SCHEMBL18074367 | 0.60 | SLC13A5 (0.41) | KDM4EGPR52HTTSLC13A5L3MBTL1 | |
| SCHEMBL28375474 | 0.60 | SLC13A5 (0.41) | KDM4EGPR52HTTSLC13A5L3MBTL1 | |
| SCHEMBL463621 | 0.60 | OPRM1 (0.53) | ALDH1A1HTTCHRM3LMNAL3MBTL1 |
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-0808308-B1 | METHOD FOR SEPARATING CARBINOLS | ESTEVE LABOR DR (ES) | 2001-03-07 | — | — | EP | claimed |