Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9508981 | 1.00 | ALDH1A1 (0.45) | ALDH1A1ALOX5MAOAESR2MEN1 | |
| SCHEMBL28521784 | 0.88 | ALDH1A1 (0.52) | ALDH1A1ALOX5MEN1MAPTKMT2A | |
| SCHEMBL4563680 | 0.87 | MEN1 (0.32) | MEN1KMT2ATDP1 | |
| SCHEMBL12487184 | 0.86 | DRD2 (0.37) | ALDH1A1ALOX5MAOAESR2MEN1 | |
| SCHEMBL16787304 | 0.86 | DRD2 (0.37) | ALDH1A1ALOX5MAOAESR2MEN1 | |
| SCHEMBL29949667 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX5MAOAMEN1KMT2A | |
| SCHEMBL28518065 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX5MAOAMEN1KMT2A | |
| SCHEMBL16787270 | 0.84 | ALDH1A1 (0.39) | ALDH1A1ALOX5MAOAESR2MEN1 | |
| SCHEMBL16166569 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ALOX5MEN1MAPTKMT2A | |
| SCHEMBL12490787 | 0.83 | DRD2 (0.35) | ALOX5MAOAMEN1KMT2AESR1 |
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 |