Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL10629192 | 0.85 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1CA2MEN1 | |
| SCHEMBL1564332 | 0.81 | CYP3A4 (0.53) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| Ethylene SCHEMBL16800083 | 0.80 | ALDH1A1 (0.90) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| SCHEMBL8420801 | 0.80 | — | — | |
| SCHEMBL6249719 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| SCHEMBL9492501 | 0.80 | — | — | |
| SCHEMBL16324 | 0.80 | — | — | |
| SCHEMBL16205730 | 0.80 | TSHR (0.46) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| Ethylene Glycol SCHEMBL21402191 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| Ethylene Glycol SCHEMBL4456710 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNATDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849478-A | Corrosion inhibitors for fuels and lubricating oils | 巴斯夫欧洲公司 | 2018-03-27 | — | — | CN | disclosed |