Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA3 | P07451 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA6 | P23280 | 3/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9619529 | 0.89 | LMNA (0.56) | HTTALDH1A1LMNACA1CA2 | |
| Hydrochloric Acid SCHEMBL7261261 | 0.87 | LMNA (0.54) | HTTALDH1A1LMNACA1CA2 | |
| SCHEMBL26836 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8477054 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8746207 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL125764 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8714706 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6568407 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6913648 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| Ammonia Solution, Strong SCHEMBL11740925 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 |
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-5049558-A | Quaternized nitrogen-heterocycle substituted | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-09-17 | — | — | US | disclosed |
| EP-0164944-B1 | CEPHALOSPORIN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-07-11 | — | — | EP | disclosed |