Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL221178 | 0.85 | — | — | |
| Cyanide SCHEMBL28159670 | 0.82 | CYP3A4 (0.71) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| Ammonia Solution, Strong SCHEMBL27616474 | 0.82 | CYP3A4 (0.80) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| Hydrochloric Acid SCHEMBL8640357 | 0.82 | CYP3A4 (0.80) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| Hydrochloric Acid SCHEMBL8640352 | 0.82 | CYP3A4 (0.80) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| SCHEMBL127074 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4371942 | 0.76 | CYP3A4 (0.93) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| Hydrochloric Acid SCHEMBL10975110 | 0.76 | CYP3A4 (0.93) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| Nitrogen SCHEMBL28728934 | 0.73 | CYP3A4 (0.87) | CYP3A4TP53ALDH1A1TSHRTHRB | |
| SCHEMBL22082751 | 0.73 | CYP3A4 (0.43) | CYP3A4TP53ALDH1A1 |
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-109627490-B | Red organic colorant applied to resin coloring and preparation method thereof | 沈阳化工研究院有限公司 | 2021-02-05 | — | — | CN | disclosed |