Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11813693 | 1.00 | L3MBTL1 (0.46) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL15052282 | 0.83 | ALDH1A1 (0.43) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL16268938 | 0.82 | CA12 (0.44) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL3105348 | 0.82 | ALDH1A1 (0.43) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL3105338 | 0.82 | ALDH1A1 (0.43) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL16268939 | 0.81 | CA12 (0.43) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL16268936 | 0.81 | CA12 (0.43) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL11814941 | 0.78 | ESR1 (0.44) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL11814939 | 0.78 | ESR1 (0.44) | L3MBTL1ALDH1A1CA12CA1CA2 | |
| SCHEMBL11812725 | 0.78 | CA1 (0.47) | ALDH1A1CA1CA2LMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3987116-A | ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF | WILLIAM H. RORER, INC. (US) | 1976-10-19 | — | — | US | disclosed |