Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9663287 | 0.90 | HTR2A (0.33) | — | |
| SCHEMBL9842403 | 0.68 | ELANE (0.33) | — | |
| SCHEMBL9842547 | 0.65 | CACNA1D (0.33) | — | |
| SCHEMBL8393880 | 0.64 | CACNA1D (0.30) | — | |
| SCHEMBL9842625 | 0.63 | HTR2A (0.30) | — | |
| SCHEMBL6694686 | 0.63 | CACNA1D (0.30) | — | |
| SCHEMBL9842466 | 0.63 | MMP2 (0.31) | KDM1A | |
| Isopropylbenzene SCHEMBL7651427 | 0.61 | TP53 (0.56) | TP53CYP19A1 | |
| SCHEMBL444227 | 0.61 | TP53 (0.56) | TP53CYP19A1 | |
| SCHEMBL6546869 | 0.61 | TP53 (0.56) | TP53CYP19A1 |
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-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |