Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | BID | P55957 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL28812907 | 0.91 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| SCHEMBL989124 | 0.91 | KCNH2 (0.47) | ALDH1A1ESR1CYP3A4KAT8PPARG | |
| SCHEMBL51085 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| Benzene SCHEMBL11421230 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| SCHEMBL11645702 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| Benzene SCHEMBL27946537 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| SCHEMBL29110944 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| Water SCHEMBL27929084 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| Barium SCHEMBL30124829 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1CYP3A4 | |
| Ethylene SCHEMBL28540957 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1ESR1CYP3A4 |
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-2147909-A1 | METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER | Asahi Kasei Chemicals Corporation (JP) | 2010-01-27 | — | — | EP | disclosed |