Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 SCHEMBL11316226 | 0.99 | CYP1A2 (0.46) | CYP1A2KDM4ECYP3A4CYP2C19MEN1 | |
| SCHEMBL11332975 | 0.81 | POLB (0.49) | CYP1A2KDM4ECYP3A4CYP2C19HSF1 | |
| Hydrochloric Acid SCHEMBL11328147 | 0.80 | POLB (0.51) | CYP1A2KDM4ECYP3A4CYP2C19HSF1 | |
| SCHEMBL11318289 | 0.77 | HSF1 (0.47) | KDM4EMEN1KMT2AHSF1MAPT | |
| Hydrochloric Acid SCHEMBL11320175 | 0.76 | HSF1 (0.46) | KDM4EMEN1KMT2AHSF1MAPT | |
| SCHEMBL11471114 | 0.76 | HSF1 (0.52) | CYP1A2KDM4ECYP2C19HSF1L3MBTL1 | |
| SCHEMBL11328329 | 0.75 | HSF1 (0.45) | CYP1A2KDM4ECYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11332183 | 0.75 | HSF1 (0.52) | CYP1A2CYP2C19HSF1L3MBTL1MAPT | |
| Hydrochloric Acid SCHEMBL11316213 | 0.74 | HSF1 (0.44) | CYP1A2KDM4EMEN1KMT2AHSF1 | |
| Iodomethane SCHEMBL11748464 | 0.69 | CYP1A2 (0.61) | CYP1A2KDM4ECYP2C19MEN1KMT2A |
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 |