Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399911 | 0.98 | CYP2C19 (0.40) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9788180 | 0.86 | POLB (0.46) | CYP2C19SMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL9788249 | 0.79 | CYP2C19 (0.38) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL11106484 | 0.74 | CYP1A2 (0.44) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9217918 | 0.74 | TRPA1 (0.37) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9788167 | 0.72 | CYP1A2 (0.41) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9220450 | 0.72 | CYP2C19 (0.38) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL18269822 | 0.72 | CES1 (0.43) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL31489064 | 0.71 | CYP1A2 (0.46) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL1691930 | 0.70 | CYP2D6 (0.48) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| EP-0300797-B1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-10-04 | — | — | EP | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| US-5026874-A | Agricultural insecticides | WELLCOME FOUNDATION LIMITED (GB) | 1991-06-25 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |