Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17745129 | 0.90 | GABRA1 (0.44) | GABRA1GABRB2TAAR1HTR1AALDH1A1 | |
| SCHEMBL890397 | 0.85 | CYP3A4 (0.39) | ARFDPSALDH1A1POLBCYP3A4 | |
| SCHEMBL8098064 | 0.84 | GABRA1 (0.40) | GABRA1GABRB2ARTAAR1HTR1A | |
| SCHEMBL165995 | 0.83 | GABRA1 (0.46) | GABRA1GABRB2TAAR1HTR1AALDH1A1 | |
| Methylamine SCHEMBL9001657 | 0.83 | CYP3A4 (0.46) | GABRA1GABRB2FDPSALDH1A1POLB | |
| SCHEMBL29565534 | 0.82 | — | — | |
| SCHEMBL39547 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL7468688 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2TAAR1HTR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL8136588 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2TAAR1HTR1AALDH1A1 | |
| SCHEMBL7624528 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2ARFDPSALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2742079-B1 | LIQUID METHYLENEDIANILINE COMPOSITIONS | AIR PROD & CHEM (US) | 2016-05-18 | — | — | EP | claimed |