Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14143379 | 0.71 | KEAP1 (0.35) | HTR2AALDH1A1CYP1A2CYP3A4ALOX15 | |
| SCHEMBL19100048 | 0.68 | KDM4E (0.44) | HTR1AHTR7HTR2AHTR5AHTR6 | |
| SCHEMBL4536130 | 0.65 | — | — | |
| SCHEMBL31290744 | 0.61 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Benzene SCHEMBL28035419 | 0.61 | ALDH1A1 (0.61) | MGLLALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL21447 | 0.61 | ALDH1A1 (0.61) | MGLLALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL2361430 | 0.61 | ALDH1A1 (0.61) | MGLLALDH1A1HSD17B10HPGDBCL2L1 | |
| SCHEMBL22728529 | 0.61 | BPTF (0.58) | HTR1AHTR7HTR2AHTR5AHTR6 | |
| SCHEMBL22571373 | 0.60 | HTR1A (0.38) | HTR1AHTR7HTR2AHTR5AHTR6 | |
| SCHEMBL19817096 | 0.60 | ALDH1A1 (0.39) | HTR1AHTR7CHRNB2CHRNA4DRD2 |
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-3315486-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND | Tosoh Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |