Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | CASP2 | P42575 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | F13A1 | P00488 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10483953 | 0.95 | CA12 (0.41) | SIGMAR1CASP2CA12F13A1CA2 | |
| SCHEMBL10483916 | 0.85 | MC4R (0.47) | CYP1A2CYP2C19MC4RMC5RMC3R | |
| Hydrochloric Acid SCHEMBL1871522 | 0.84 | CYP2A6 (0.47) | CYP1A2ALOX15THPOCYP2A6MEN1 | |
| SCHEMBL2171135 | 0.84 | HRH1 (0.49) | CYP2A6HRH1 | |
| SCHEMBL10484004 | 0.81 | MC4R (0.43) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL10483947 | 0.81 | SIGMAR1 (0.41) | SIGMAR1MAPT | |
| SCHEMBL1585757 | 0.79 | TAAR1 (0.52) | CYP1A2CYP2A6CYP2C19KMT2A | |
| SCHEMBL9511528 | 0.78 | MC4R (0.45) | SIGMAR1CYP1A2CYP2C19MC4RMC5R | |
| Hydrochloric Acid SCHEMBL2714671 | 0.77 | TAAR1 (0.50) | CYP1A2CYP2A6CYP2C19RECQLKMT2A | |
| SCHEMBL10483890 | 0.76 | CA12 (0.41) | SIGMAR1CASP2CA12F13A1CA2 |
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-4812571-A | NITROMETHYLENE COMPOUNDS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-03-14 | — | — | US | disclosed |
| EP-0163855-A1 | Nitromethylene derivatives, intermediates, and process for their preparation as insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-12-11 | — | — | EP | disclosed |