Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28101078 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL960 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL28942580 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Hydrogen Sulfide SCHEMBL27839115 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL27316763 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Methylene Chloride SCHEMBL27704382 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Methane SCHEMBL29164406 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Hydrazine SCHEMBL28257347 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Carbamic Acid SCHEMBL28849456 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL26963931 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107709316-A | The benzodioxan derivative of 2 (base of 1 heteroaryl piperazine 4) methyl 1,4 as α 2C antagonists | 奥赖恩公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-107635975-A | NOVEL DGAT2 INHIBITORS | 伊莱利利公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107205989-A | The method for the treatment of, prevention or reduction skin infection risk | 梅琳塔治疗公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-107073130-A | Fatty acids and their use in conjugation with biomolecules | 诺华股份有限公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-105308030-A | Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds | BRISTOL MYERS SQUIBB CO | 2016-02-03 | — | — | CN | disclosed |
| CN-104854097-A | N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds | BRISTOL MYERS SQUIBB CO | 2015-08-19 | — | — | CN | disclosed |
| CN-104822665-A | Fluoroalkyl and fluorocycloalkyl 1, 4-benzodiazepine ketone compounds useful as Notch inhibitors | BRISTOL MYERS SQUIBB CO | 2015-08-05 | — | — | CN | disclosed |
| CN-104797584-A | Tricyclic heterocyclic compounds as notch inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-22 | — | — | CN | disclosed |
| CN-101484171-B | Amino acid surrogates for peptidic constructs | PALATIN TECHNOLOGIES INC | 2015-05-06 | — | — | CN | disclosed |