Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL21328384 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Benzyl Alcohol SCHEMBL8165951 | 0.86 | TSHR (0.56) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Toluene SCHEMBL31389011 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Benzyl Alcohol SCHEMBL8445888 | 0.83 | TSHR (0.59) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Benzyl Alcohol SCHEMBL6545528 | 0.82 | TSHR (0.52) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| O-Xylene SCHEMBL27540479 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Benzyl Alcohol SCHEMBL18304351 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Butoxyethanol SCHEMBL9396565 | 0.81 | TSHR (0.61) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Acetic Acid SCHEMBL2150763 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4HPGDPTGS2 | |
| Acetic Acid SCHEMBL22394365 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4HPGDPTGS2 |
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-0439123-B1 | A method for producing flexographic printing plates having a photocured image structure | ASAHI CHEMICAL IND (JP) | 1997-07-30 | — | — | EP | disclosed |