Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LIPA | P38571 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9339910 | 1.00 | HTT (0.60) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9337860 | 0.82 | HTT (0.70) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9336264 | 0.82 | CYP1A2 (0.61) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9336252 | 0.82 | CYP1A2 (0.61) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9337821 | 0.82 | HTT (0.54) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9336258 | 0.82 | HTT (0.54) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL9336244 | 0.81 | HTT (0.53) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL9336231 | 0.81 | HTT (0.53) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| Oxalic Acid SCHEMBL9336253 | 0.78 | SMN1; SMN2 (0.56) | HTTNPSR1ALDH1A1ALOX15HSD17B10 | |
| Oxalic Acid SCHEMBL9336263 | 0.78 | SMN1; SMN2 (0.56) | HTTNPSR1ALDH1A1ALOX15HSD17B10 |
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-0283147-B1 | Labile ketone derivatives of 3-substituted-1-alkylamino-2-propanols and their use as beta-adrenergic blockers | UNIV FLORIDA (US) | 1994-05-11 | — | — | EP | disclosed |