Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.41 |
| ▸ | PNMT | P11086 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8934077 | 0.98 | IDO1 (0.43) | IDO1PNMTCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8233153 | 0.77 | TAAR1 (0.46) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| Hydrochloric Acid SCHEMBL3915756 | 0.75 | TAAR1 (0.45) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL17755385 | 0.74 | RECQL (0.36) | CYP3A4CYP1A2CYP2D6NFKB1ALDH1A1 | |
| SCHEMBL14306818 | 0.74 | TSHR (0.40) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL19588486 | 0.72 | PNMT (0.38) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL20024820 | 0.72 | IDO1 (0.38) | IDO1PNMTCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8431393 | 0.72 | CYP1A2 (0.38) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL18782487 | 0.71 | SLC6A2 (0.37) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL7350660 | 0.69 | PNMT (0.58) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 |
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-1996015672-A1 | FUNGICIDAL COMPOSITION | ZENECA LIMITED (GB) | 1996-05-30 | — | — | WO | disclosed |