Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21991016 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL20860298 | 0.81 | CYP3A4 (0.33) | CYP3A4TDP1 | |
| SCHEMBL23172696 | 0.75 | RAB9A (0.41) | — | |
| SCHEMBL22899224 | 0.73 | ACHE (0.34) | TDP1 | |
| SCHEMBL12993025 | 0.72 | HSD17B10 (0.34) | CYP3A4TDP1 | |
| SCHEMBL20860427 | 0.72 | MAPT (0.37) | CYP3A4TDP1 | |
| SCHEMBL20860301 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL22623590 | 0.68 | CYP3A4 (0.40) | CYP3A4TDP1 | |
| SCHEMBL12182405 | 0.68 | — | — | |
| SCHEMBL10099731 | 0.64 | — | — |
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-3514163-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2019-07-24 | — | — | EP | disclosed |