Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | FABP6 | P51161 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL38661624 | 1.00 | NOX1 (0.42) | NOX1HTR2CAHRCA3CA6 | |
| SCHEMBL38661040 | 0.81 | NOX1 (0.38) | NOX1HTR2CCA3CA6CA5A | |
| SCHEMBL11828411 | 0.78 | CTNNB1 (0.35) | — | |
| SCHEMBL11827566 | 0.78 | ABCB11 (0.37) | — | |
| SCHEMBL8208500 | 0.77 | NOX1 (0.44) | NOX1HTR2CAHRCYP1A2CYP2A6 | |
| SCHEMBL11822353 | 0.76 | PTGS1 (0.48) | HTR2CCYP1A2MAPT | |
| SCHEMBL15362856 | 0.74 | — | — | |
| SCHEMBL29411773 | 0.74 | NOX1 (0.48) | NOX1CA3CA6CA5ACA9 | |
| SCHEMBL9508923 | 0.74 | NOX1 (0.48) | NOX1CA3CA6CA5ACA9 | |
| SCHEMBL9511403 | 0.74 | NOX1 (0.48) | NOX1CA3CA6CA5ACA9 |
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 3 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 |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |