Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSF1 | Q00613 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 SCHEMBL11316213 | 0.99 | HSF1 (0.44) | HSF1ALDH1A1HPGDEPHX1CYP1A2 | |
| SCHEMBL11471113 | 0.77 | HSF1 (0.52) | HSF1ALDH1A1CYP1A2CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL11332179 | 0.76 | HSF1 (0.51) | HSF1CYP1A2CYP2D6KMT2AMEN1 | |
| SCHEMBL11328347 | 0.75 | CYP1A2 (0.47) | HSF1ALDH1A1HPGDCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11316226 | 0.74 | CYP1A2 (0.46) | HSF1ALDH1A1HPGDCYP1A2CYP2D6 | |
| Iodomethane SCHEMBL11748464 | 0.72 | CYP1A2 (0.61) | ALDH1A1CYP1A2CYP2D6KMT2AMEN1 | |
| SCHEMBL11332975 | 0.66 | POLB (0.49) | HSF1ALDH1A1HPGDCYP1A2NPC1 | |
| SCHEMBL11741423 | 0.66 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2D6KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11328147 | 0.65 | POLB (0.51) | HSF1ALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL11318289 | 0.65 | HSF1 (0.47) | HSF1KMT2AMEN1NPC1KDM4E |
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-4308399-A | O-(3-Amino-2-hydroxy-propyl)-amidoxime derivatives, process for the preparation thereof and pharmaceutical compositions containing same | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1981-12-29 | — | — | US | claimed |