Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11712007 | 0.82 | MAPK1 (0.62) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL671514 | 0.82 | GSK3B (0.67) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL16805894 | 0.80 | MAPK1 (0.55) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL29101989 | 0.80 | CES1 (0.70) | MAPK1CES1ESR1CYP19A1ESR2 | |
| Alcohol SCHEMBL28329576 | 0.80 | TSHR (0.61) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL27528865 | 0.79 | MAPK1 (0.53) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL18863036 | 0.77 | ESR1 (0.62) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL16690227 | 0.77 | GSK3B (0.61) | MAPK1CES1ESR1CYP19A1ESR2 | |
| SCHEMBL28587201 | 0.77 | ALDH1A1 (0.56) | MAPK1CES1ESR1CYP19A1ESR2 | |
| Butane SCHEMBL28792796 | 0.77 | HSD17B10 (0.64) | MAPK1CES1CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693744-A | BASED ON A DIAMINE AND AN 4-(N,N-BIS(OMEGA-CARBOXYLALKYL)AMINO-4'-SUBSTITUTED STILBENE; HIGH GLASS TRANSITION TEMPERATURE; AMORPHOUS; STABILITY; SOLVENT RESISTANCE; STRENGTH; FILMS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-12-02 | — | — | US | disclosed |