Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10846054 | 0.85 | CHRNE (0.34) | NOS3NOS2CYP2C19ALDH1A1TAAR1 | |
| SCHEMBL10848793 | 0.81 | ADRA2A (0.35) | NOS3NOS2CYP2C19USP2ABCB11 | |
| SCHEMBL10494180 | 0.78 | PNMT (0.45) | NOS3ALDH1A1DRD4DRD3TSHR | |
| SCHEMBL10846949 | 0.76 | BRD4 (0.32) | — | |
| SCHEMBL10846610 | 0.76 | NOTUM (0.45) | NOS3NOS2ALDH1A1TAAR1TSHR | |
| SCHEMBL10846409 | 0.75 | PDCD1 (0.34) | NOS3NOS2ALDH1A1ADRA2AADRA2B | |
| SCHEMBL10847041 | 0.75 | HSP90AA1 (0.40) | LMNAATM | |
| SCHEMBL19354160 | 0.75 | BCL2L1 (0.45) | CYP2C19ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL10494149 | 0.74 | PNMT (0.45) | NOS3ALDH1A1LMNADRD4DRD3 | |
| SCHEMBL6299914 | 0.72 | CYP2A6 (0.44) | ALDH1A1ADRB3SIGMAR1TSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4605748-A | INSECTICIDES, MITICIDES | FMC CORPORATION (US) | 1986-08-12 | — | — | US | claimed |
| US-4605748-A | INSECTICIDES, MITICIDES | FMC CORPORATION (US) | 1986-08-12 | — | — | US | disclosed |
| US-4487778-A | Insecticidal esters derived from benzocycloalkane-thiophenemethyl compounds | FMC CORPORATION (US) | 1984-12-11 | — | — | US | disclosed |