Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11396815 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL8904542 | 0.92 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL9800436 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL7643869 | 0.85 | MTNR1A (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL128593 | 0.85 | MTNR1A (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL129449 | 0.85 | MTNR1A (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL12981740 | 0.85 | MTNR1A (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL12982184 | 0.85 | MTNR1A (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL2165102 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL29756610 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5627189-A | Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives | FMC CORPORATION (US) | 1997-05-06 | — | — | US | disclosed |
| US-5587379-A | CONTROLLING INSECTS IN AGRICULTURAL CROPS | FMC CORPORATION (US) | 1996-12-24 | — | — | US | disclosed |
| US-5521192-A | TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM | FMC CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0671881-A4 | INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. | FMC CORP (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0671881-A1 | INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES | FMC CORPORATION (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994012032-A1 | INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES | FMC CORPORATION (US) | 1994-06-09 | — | — | WO | disclosed |