Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10613369 | 0.98 | NQO1 (0.58) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL17614864 | 0.98 | NQO1 (0.58) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL25548946 | 0.94 | NQO1 (0.64) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL7753262 | 0.92 | NQO1 (0.67) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL9664933 | 0.89 | CYP3A4 (0.58) | NQO1MAPTRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL9662717 | 0.88 | NQO1 (0.56) | NQO1MAPTRAB9AL3MBTL1TSHR | |
| SCHEMBL9662959 | 0.87 | MAPT (0.68) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL14548630 | 0.86 | MAPT (0.62) | NQO1MAPTRAB9AL3MBTL1TSHR | |
| SCHEMBL10462424 | 0.86 | MAPT (0.55) | NQO1MAPTRAB9AL3MBTL1THRB | |
| SCHEMBL10570997 | 0.86 | RAB9A (0.61) | NQO1MAPTRAB9AL3MBTL1TSHR |
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-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0407569-A1 | DIPHENYLETHANES | MERCK PATENT GmbH (DE) | 1991-01-16 | — | — | EP | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |