Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9714257 | 0.92 | CYP3A4 (0.60) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9714325 | 0.90 | CYP3A4 (0.59) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9824827 | 0.90 | ABCB1 (0.57) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8173274 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9342048 | 0.89 | CYP3A4 (0.74) | CYP3A4CYP2C9POLBMEN1LMNA | |
| SCHEMBL9714242 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8177913 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9824817 | 0.86 | ABCB1 (0.58) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9877205 | 0.85 | POLB (0.73) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 | |
| SCHEMBL9714318 | 0.85 | POLB (0.56) | CYP3A4CYP2C9POLBHPGDSMN1; SMN2 |
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-0236618-A2 | Insecticidal N'-substituted-N,N'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |