Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11266338 | 0.92 | TSHR (0.41) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Diethylene Glycol Monoethyl Ether SCHEMBL28056157 | 0.90 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL8618448 | 0.87 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL10898953 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL8669808 | 0.83 | TSHR (0.46) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Diethylene Glycol Monoethyl Ether SCHEMBL28017328 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL7649668 | 0.81 | LMNA (0.52) | MEN1KMT2ALMNATSHRALOX12 | |
| Toluene SCHEMBL28462909 | 0.79 | LMNA (0.50) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL3469199 | 0.79 | LMNA (0.50) | ALDH1A1MEN1KMT2ALMNATSHR | |
| Toluene SCHEMBL27294596 | 0.79 | LMNA (0.50) | ALDH1A1MEN1KMT2ALMNATSHR |
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-110983315-A | Aqueous metal surface treatment agent, metal surface treatment film, and metal material having metal surface treatment film | 日本帕卡濑精株式会社 | 2020-04-10 | — | — | CN | disclosed |