Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508923 | 1.00 | NOX1 (0.48) | NOX1ALDH1A1CA3CA6CA5A | |
| SCHEMBL4924610 | 1.00 | — | — | |
| SCHEMBL29411773 | 1.00 | NOX1 (0.48) | NOX1ALDH1A1CA3CA6CA5A | |
| SCHEMBL11827278 | 0.92 | NOX1 (0.59) | NOX1ALDH1A1CYP1A2CYP2A6GPR84 | |
| SCHEMBL19010406 | 0.86 | ACHE (0.44) | NOX1ALDH1A1CYP1A2CYP2A6HPGD | |
| SCHEMBL30812356 | 0.79 | NOX1 (0.43) | NOX1GPR84DRD2 | |
| SCHEMBL9511329 | 0.74 | NOX1 (0.42) | NOX1ALDH1A1CA3CA6CA5A | |
| SCHEMBL342918 | 0.74 | NOX1 (0.81) | NOX1CA9CYP1A2 | |
| SCHEMBL38661040 | 0.74 | NOX1 (0.38) | NOX1ALDH1A1CA3CA6CA5A | |
| SCHEMBL29756225 | 0.74 | NOX1 (0.38) | NOX1ALDH1A1CA6HDAC8RAD52 |
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 |