Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL20548020 | 0.98 | CYP1A2 (0.69) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL7996141 | 0.89 | CHRM2 (0.75) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL29875178 | 0.88 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL19031318 | 0.88 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL11594897 | 0.85 | CHRM2 (0.93) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL12651972 | 0.85 | CYP1A2 (0.77) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL10859194 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL2861457 | 0.84 | CYP1A2 (1.00) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL10858860 | 0.83 | ALDH1A1 (0.63) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL29870183 | 0.83 | CYP1A2 (0.74) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023212019-A1 | PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2023-11-02 | — | — | WO | disclosed |
| US-6297374-B1 | Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them | NIHON BAYER AGROCHEM K.K. (JP) | 2001-10-02 | — | — | US | disclosed |
| US-6022967-A | 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-02-08 | — | — | US | disclosed |
| US-5750704-A | INSECTICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5580889-A | Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-03 | — | — | US | disclosed |
| US-5461167-A | 2-chloro-5-chloromethyl thiazole; insecticide | NIHON BAYER AGROCHEM K.K. (JP) | 1995-10-24 | — | — | US | disclosed |
| US-5428032-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1995-06-27 | — | — | US | disclosed |
| US-5298507-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1994-03-29 | — | — | US | disclosed |
| US-5204360-A | Insecticides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5001138-A | Insecticides | NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) | 1991-03-19 | — | — | US | disclosed |
| US-4845106-A | INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-07-04 | — | — | US | disclosed |
| US-4742060-A | 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) | 1988-05-03 | — | — | US | disclosed |
| EP-0192060-A1 | Heterocyclic compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1986-08-27 | — | — | EP | disclosed |