Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3679612 | 0.81 | PGR (0.33) | ALDH1A1 | |
| SCHEMBL21847490 | 0.74 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL20860342 | 0.70 | CYP3A4 (0.37) | CYP3A4TDP1ALDH1A1TP53ACHE | |
| SCHEMBL19265041 | 0.70 | — | — | |
| SCHEMBL31281526 | 0.65 | — | — | |
| SCHEMBL23938640 | 0.64 | CYP3A4 (0.34) | CYP3A4TDP1ALDH1A1TP53ACHE | |
| SCHEMBL17710637 | 0.62 | — | — | |
| SCHEMBL31281817 | 0.60 | — | — | |
| SCHEMBL21180875 | 0.59 | — | — | |
| Benzidine SCHEMBL27459735 | 0.58 | ALDH1A1 (0.85) | CYP3A4TDP1ALDH1A1TP53ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604321-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2022-02-09 | — | — | EP | disclosed |