Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5091682 | 0.80 | MAOB (0.50) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| SCHEMBL21058275 | 0.80 | TAAR1 (0.45) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| SCHEMBL904016 | 0.80 | S1PR1 (0.58) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| SCHEMBL10766520 | 0.80 | TAAR1 (0.45) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| Bromide SCHEMBL11785400 | 0.80 | TAAR1 (0.50) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| Iodide SCHEMBL5087570 | 0.80 | TAAR1 (0.50) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| Bromide SCHEMBL5085125 | 0.80 | TAAR1 (0.50) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| SCHEMBL25288830 | 0.78 | TNNC1 (0.47) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| Bromide SCHEMBL11785245 | 0.78 | MAOA (0.48) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 | |
| SCHEMBL6947634 | 0.78 | TNNC1 (0.47) | HTR2ALOXL2SMN1; SMN2TAAR1CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458897-A | Process for producing heterocyclic compound | 武田药品工业株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-102686590-B | As the pyrazoline derovatives of nadph oxidase inhibition | GENKYOTEX S.A. (CH) | 2015-09-16 | — | — | CN | disclosed |
| CN-1989106-B | N-hydroxyamide derivatives and their use | MERCK SERONO SA | 2013-12-04 | — | — | CN | disclosed |
| US-5021187-A | In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1991-06-04 | — | — | US | disclosed |