Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | RGS12 | O14924 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4650189 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL14771667 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL6248391 | 0.85 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL28360980 | 0.83 | CYP3A4 (0.51) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL12199933 | 0.83 | CYP3A4 (0.58) | ALDH1A1CYP3A4TSHRCYP2D6HSD17B10 | |
| Acetic Acid SCHEMBL11356631 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL14771681 | 0.82 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL14771672 | 0.82 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL14771654 | 0.82 | TSHR (0.46) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A | |
| SCHEMBL11142451 | 0.82 | TSHR (0.46) | ALDH1A1CYP3A4TSHRCHRM2ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013036567-A2 | METHODS, COMPOSITIONS, AND COMPOUNDS FOR THE REDUCTION OF ILLEGAL METHAMPHETAMINE PRODUCTION | JOHNSON BRENT A (US) | 2013-03-14 | — | — | WO | disclosed |