Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 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 | |
|---|---|---|---|---|
| SCHEMBL5923176 | 0.83 | HTR6 (0.48) | HTR6ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL2889562 | 0.81 | HTR6 (0.61) | HTR6ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL708381 | 0.79 | HTR6 (0.64) | HTR6ALDH1A1CYP2A6HTR2AHTR2C | |
| SCHEMBL6853680 | 0.79 | ALDH1A1 (0.48) | HTR6ALDH1A1CYP2A6STSKDM4E | |
| SCHEMBL16337021 | 0.79 | GAA (0.59) | HTR6ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL8559647 | 0.75 | HSD11B1 (0.49) | HTR6ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL6853554 | 0.73 | CA12 (0.49) | HTR6ALDH1A1CYP2A6HTR2AHTR2C | |
| SCHEMBL972702 | 0.71 | — | — | |
| SCHEMBL28216952 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP2A6KDM4EMAPK1HSD17B10 | |
| SCHEMBL27401824 | 0.70 | HTR6 (0.50) | HTR6ALDH1A1GAAKMT2ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |