Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL9557162 | 0.89 | ALDH1A1 (0.43) | CES2CES1PDK2NPC1RAB9A | |
| SCHEMBL9557467 | 0.88 | MEN1 (0.48) | CYP1A1CYP1B1CES2CES1NPC1 | |
| SCHEMBL9558203 | 0.87 | CYP11B1 (0.49) | CES2CES1PDK2 | |
| SCHEMBL9557771 | 0.85 | KMT2A (0.41) | CES2CES1PDK2MEN1KMT2A | |
| SCHEMBL9557283 | 0.83 | CES2 (0.50) | CYP1B1CES2CES1NPC1RAB9A | |
| SCHEMBL9557966 | 0.83 | CES2 (0.50) | CYP1B1CES2CES1NPC1RAB9A | |
| SCHEMBL9557624 | 0.82 | CES2 (0.51) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL9557392 | 0.82 | CES2 (0.51) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL9557553 | 0.82 | CYP1A1 (0.47) | CYP1A1CYP1B1CES2CES1PDK2 | |
| SCHEMBL9557398 | 0.81 | NR1H4 (0.48) | NPC1RAB9AMEN1KMT2AMAPT |
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 |