Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.41 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.41 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL561327 | 0.73 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL2903622 | 0.73 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL9689273 | 0.72 | L3MBTL1 (0.69) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL21243268 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL7999552 | 0.71 | PPARD (0.60) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL919038 | 0.71 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL10092823 | 0.70 | MCL1 (0.55) | CYP1A2CYP2C9CYP2C19L3MBTL1TSHR | |
| SCHEMBL2911351 | 0.70 | TAAR1 (0.59) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPT | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.70 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPT | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.70 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPT |
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-4358599-A | Synthesis of 4-amino-1,2-hydrocarbyl pyrazolidines via 4-nitro analogs | A. H. ROBINS COMPANY, INC. (US) | 1982-11-09 | — | — | US | disclosed |
| US-4309552-A | Synthesis of 4-nitro-1,2-hydrocarbyl pyrazolidines and process for preparation thereof | A. H. ROBINS COMPANY, INC. (US) | 1982-01-05 | — | — | US | disclosed |