Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
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 SCHEMBL1681479 | 0.94 | ALDH1A1 (0.60) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL10334156 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL9577010 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL20540736 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL8464588 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL302627 | 0.91 | ALDH1A1 (0.64) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL27662482 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL9444274 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Toluene SCHEMBL27927124 | 0.88 | ALDH1A1 (0.47) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL10495637 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TSHRL3MBTL1TDP1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5354834-A | Using polyisocyanate having uretidine dione dimer and isocyanurate cyclic trimer contents | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 1994-10-11 | — | — | US | disclosed |
| EP-0495307-A1 | Polyisocyanate curing agent and coating and adhesive cmpositions containing it | NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) | 1992-07-22 | — | — | EP | disclosed |