Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132842 | 0.88 | CYP2A6 (0.62) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL29801671 | 0.88 | CYP2A6 (0.62) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL15812930 | 0.84 | ALDH1A1 (0.58) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL5709171 | 0.84 | DHFR (0.51) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL788001 | 0.84 | ALDH1A1 (0.56) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL9678804 | 0.81 | CYP3A4 (0.54) | ALDH1A1HSD17B10CYP3A4TSHRTDP1 | |
| SCHEMBL3794845 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP3A4TSHRTDP1 | |
| SCHEMBL21110891 | 0.81 | DHFR (0.49) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL4915508 | 0.80 | ALDH1A1 (0.52) | DHFRALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL29418125 | 0.80 | ALDH1A1 (0.52) | DHFRALDH1A1HPGDHSD17B10CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153226-A | Administering as anticholesterol agents, for atherosclerosis | WARNER-LAMBERT COMPANY (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0415413-A1 | Acat inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-06 | — | — | EP | disclosed |
| US-4950414-A | MIXTURE OF POLYISOBUTENE AND PHOSPHETANE ADDITIVE | UK-MINERALOLWERKE WENZEL & WEIDMANN, GMBH (DE) | 1990-08-21 | — | — | US | disclosed |