Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9601334 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL717427 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL716141 | 0.95 | TSHR (0.57) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL6395560 | 0.84 | TSHR (0.53) | ALDH1A1TSHRLMNACYP3A4KDM4E | |
| SCHEMBL2369098 | 0.82 | TSHR (0.50) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL28472895 | 0.81 | HTT (0.46) | ALDH1A1MAPT | |
| SCHEMBL8780374 | 0.80 | PLA2G4B (0.46) | TSHRTP53 | |
| SCHEMBL5983495 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Heptane SCHEMBL28770979 | 0.78 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL81945 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TSHRLMNAMAPK1CYP3A4 |
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-104017636-A | Water soluble full-alloy metal grinding fluid | UNIV TSINGHUA | 2014-09-03 | — | — | CN | disclosed |