Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 4/20 | 0.38 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 3/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11692564 | 0.89 | EDNRA (0.36) | EDNRAP2RY4THRBALDH1A1CYP3A4 | |
| SCHEMBL5161924 | 0.86 | SLC40A1 (0.36) | EDNRATHRBCYP3A4HPGDTSHR | |
| Water SCHEMBL31670348 | 0.85 | SLC40A1 (0.36) | EDNRATHRBCYP3A4HPGDTSHR | |
| SCHEMBL10836719 | 0.82 | GAA (0.35) | P2RY4IDH1GAA | |
| SCHEMBL111298 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRMAPK1GAA | |
| SCHEMBL9705737 | 0.76 | P2RY4 (0.35) | EDNRAP2RY4THRBALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL239363 | 0.75 | CYP3A4 (0.40) | CYP3A4TSHRGAA | |
| SCHEMBL1086598 | 0.74 | CYP3A4 (0.36) | CYP3A4TSHRFLT1FLT4KDR | |
| Hydrochloric Acid SCHEMBL10636134 | 0.74 | CYP3A4 (0.39) | CYP3A4TSHRGAA | |
| Hydrochloric Acid SCHEMBL10636139 | 0.74 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4035144-A | Dyeing preparations containing boric acid for preparing water-insoluble azo dyestuffs on fiber | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-07-12 | — | — | US | disclosed |