Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.53 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 5/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495426 | 0.99 | MEN1 (0.55) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563719 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563729 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563976 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563750 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563736 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563821 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563797 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563696 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL9563929 | 0.97 | CYP3A4 (0.57) | CYP3A4MEN1KMT2AUSP2ALDH1A1 |
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-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |