Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | PNLIP | P16233 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | TPO | P07202 | 1/20 | 0.37 |
| ▸ | EPX | P11678 | 1/20 | 0.37 |
| ▸ | LPO | P22079 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10937945 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL9699717 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL11819263 | 0.73 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL9617591 | 0.72 | PNLIP (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL5377407 | 0.72 | L3MBTL1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL10943177 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL11196187 | 0.71 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL3793518 | 0.71 | LTA4H (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL3783924 | 0.71 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19DPP4 | |
| SCHEMBL2087304 | 0.71 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19PNLIP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |