Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9557418 | 0.90 | MAPT (0.40) | CES2CES1NPC1MAPTRAB9A | |
| SCHEMBL9557537 | 0.89 | MEN1 (0.45) | CYP1A1CYP1B1CES2CES1NPC1 | |
| SCHEMBL9557564 | 0.88 | MCHR1 (0.43) | CES2CES1HSD11B1MLYCDPDK2 | |
| SCHEMBL9557279 | 0.86 | RAB9A (0.42) | NPC1RAB9AMLYCDLMNAMEN1 | |
| SCHEMBL9557404 | 0.85 | ALDH1A1 (0.46) | CYP1B1CES2CES1NPC1MAPT | |
| SCHEMBL9557717 | 0.85 | ALDH1A1 (0.46) | CYP1B1CES2CES1NPC1MAPT | |
| SCHEMBL9557370 | 0.83 | CES2 (0.47) | CES2CES1NPC1MAPTRAB9A | |
| SCHEMBL9557503 | 0.83 | CES2 (0.47) | CES2CES1NPC1MAPTRAB9A | |
| SCHEMBL9557637 | 0.83 | NR1H4 (0.44) | NPC1MAPTRAB9ALMNAMEN1 | |
| SCHEMBL9557173 | 0.82 | CYP1A1 (0.50) | CYP1A1CYP1B1CES2CES1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5225443-A | Lepidotera and Coleoptera insecticides to protect plants | ROHM AND HAAS COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0245950-A2 | Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1987-11-19 | — | — | EP | disclosed |