Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 4/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | PHGDH | O43175 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450023 | 0.80 | ALDH1A1 (0.48) | MGLLFAAHPHGDHALDH1A1GLA | |
| SCHEMBL1024200 | 0.79 | ALDH1A1 (0.57) | MGLLFAAHPHGDHALDH1A1GLA | |
| SCHEMBL30237945 | 0.76 | MGLL (0.53) | MGLLFAAHPHGDHALDH1A1GLA | |
| SCHEMBL11404737 | 0.76 | ALDH1A1 (0.52) | ALDH1A1GLATSHRAOC3MEN1 | |
| SCHEMBL8121494 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GLATSHRAOC3L3MBTL1 | |
| SCHEMBL30237836 | 0.74 | MGLL (0.50) | MGLLFAAHPHGDHALDH1A1GLA | |
| SCHEMBL8121490 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GLATSHRAOC3MEN1 | |
| SCHEMBL7379075 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GLATSHRAOC3NPSR1 | |
| SCHEMBL5495426 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GLATSHRAOC3MEN1 | |
| SCHEMBL15492964 | 0.71 | ADRA2C (0.54) | ALDH1A1GLATSHRMEN1KMT2A |
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-5554699-A | USING BRANCHED N-ALKYLDITHIOCARBAMYL DERIVATIVE ACCELERATORS | THE B. F. GOODRICH COMPANY (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0591632-A2 | Method of curing rubbers without forming nitrosamines | THE B.F. GOODRICH COMPANY (US) | 1994-04-13 | — | — | EP | disclosed |