Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | BLM | P54132 | 1/20 | 0.69 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.69 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL160617 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL29594115 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL473713 | 0.82 | MAPT (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL1309761 | 0.82 | MAPT (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL31298984 | 0.82 | MAPT (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL31298981 | 0.82 | MAPT (1.00) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL6720486 | 0.80 | CYP3A4 (0.60) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL9416529 | 0.79 | SLC2A4 (0.75) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL6898308 | 0.77 | CYP3A4 (0.67) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| 3-Hydroxybenzylhydrazine Dihydrochloride SCHEMBL23645200 | 0.76 | CYP3A4 (0.82) | CYP3A4CYP1A2PKMALOX15NFKB1 |
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-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |