Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 2/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9007149 | 0.87 | NAAA (0.51) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| Methane SCHEMBL9007169 | 0.86 | NAAA (0.50) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6937634 | 0.86 | ALDH1A1 (0.59) | CTSDKCNQ2POLBALDH1A1CRHBP | |
| SCHEMBL8627424 | 0.85 | ESR1 (0.44) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7908764 | 0.84 | CTSD (0.56) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7908853 | 0.84 | CTSD (0.56) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7908761 | 0.84 | CTSD (0.56) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL528413 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27576325 | 0.83 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL908853 | 0.81 | CTSD (0.53) | CTSDCYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993442-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001428-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-14 | — | — | WO | disclosed |