Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1259073 | 0.82 | TSHR (0.50) | TP53AHRALDH1A1TSHRRAB9A | |
| SCHEMBL7082497 | 0.82 | TP53 (0.56) | TDP1TP53ALDH1A1TSHRHDAC8 | |
| SCHEMBL181488 | 0.82 | TP53 (0.56) | TDP1TP53ALDH1A1TSHRHDAC8 | |
| Hydrogen Sulfide SCHEMBL29004367 | 0.79 | TP53 (0.54) | TDP1TP53ALDH1A1TSHRHDAC8 | |
| SCHEMBL16957748 | 0.78 | AHR (0.34) | RAPGEF4AHRTSHR | |
| SCHEMBL29955975 | 0.76 | CYP2A6 (0.42) | RAPGEF4AHRALDH1A1KDM4EMAPT | |
| SCHEMBL2011005 | 0.76 | CYP2A6 (0.42) | RAPGEF4AHRALDH1A1KDM4EMAPT | |
| SCHEMBL16957828 | 0.76 | RAPGEF4 (0.33) | RAPGEF4AHRALDH1A1TSHRMAPT | |
| Methoxymethane SCHEMBL28663826 | 0.75 | TDP1 (0.50) | TDP1TP53ALDH1A1TSHRHDAC8 | |
| SCHEMBL24145141 | 0.74 | AHR (0.38) | AHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-2214673-B1 | PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |