Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL28458312 | 0.73 | NOS2 (0.31) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL20125046 | 0.72 | CD44 (0.46) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL10798531 | 0.69 | CYP3A4 (0.46) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL1003086 | 0.68 | CYP3A4 (0.44) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL18373856 | 0.66 | CYP1A2 (0.45) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL28450126 | 0.65 | NOS2 (0.34) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL18373862 | 0.65 | CYP3A4 (0.35) | ALDH1A1TDP1CYP3A4TSHRNOS2 | |
| SCHEMBL6582691 | 0.64 | CYP3A4 (0.43) | ALDH1A1TDP1CYP3A4TSHRCASP1 | |
| SCHEMBL22220340 | 0.64 | IMPDH2 (0.37) | ALDH1A1TDP1CYP3A4TSHRCASP1 | |
| SCHEMBL19636756 | 0.64 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4TSHRCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111683955-A | Compound and organic light-emitting element comprising same | 株式会社LG化学 | 2020-09-18 | — | — | CN | disclosed |