Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Diphenylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Diphenylamine SCHEMBL28134253 | 0.87 | HSD17B10 (0.60) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL27702764 | 0.87 | HSD17B10 (0.60) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL29028763 | 0.86 | HSD17B10 (0.67) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL6828443 | 0.84 | HSD17B10 (1.00) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL301493 | 0.84 | HSD17B10 (1.00) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL1619083 | 0.84 | HSD17B10 (1.00) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL229 | 0.84 | HSD17B10 (1.00) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL3003404 | 0.84 | HSD17B10 (1.00) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| SCHEMBL11877109 | 0.81 | TAAR1 (0.67) | HSD17B10ALDH1A1TDP1TSHRALOX12 | |
| Diphenylamine SCHEMBL23295988 | 0.81 | HSD17B10 (0.92) | HSD17B10ALDH1A1TDP1TSHRALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105960419-A | (meth)acrylic acid ester compound and production method therefor | 三菱瓦斯化学株式会社 | 2016-09-21 | — | — | CN | disclosed |