Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Thianthrene SCHEMBL31297754 | 0.81 | ALDH1A1 (0.60) | ALDH1A1PTGS2HSD17B10CYP2A6MAOA | |
| Thianthrene SCHEMBL27837235 | 0.78 | ALDH1A1 (0.56) | ALDH1A1PTGS2HSD17B10CYP2A6MAOA | |
| Benzene SCHEMBL28256335 | 0.78 | BCHE (0.53) | ALDH1A1PTGS2MAOAHPGDMEN1 | |
| SCHEMBL9511405 | 0.75 | ALDH1A1 (0.45) | ALDH1A1ALOX5HSD17B10MAOAHPGD | |
| SCHEMBL9508981 | 0.75 | ALDH1A1 (0.45) | ALDH1A1ALOX5HSD17B10MAOAHPGD | |
| SCHEMBL9507644 | 0.75 | BCHE (0.41) | ALDH1A1HSD17B10CYP2A6HPGDMEN1 | |
| SCHEMBL10985315 | 0.75 | ALOX5 (0.53) | BACE1ALDH1A1ALOX5PTGS2HSD17B10 | |
| SCHEMBL10908520 | 0.74 | ALDH1A1 (0.58) | BACE1ALDH1A1ALOX5PTGS2HSD17B10 | |
| SCHEMBL4082425 | 0.74 | BACE1 (0.61) | BACE1ALDH1A1ALOX5PTGS2HSD17B10 | |
| SCHEMBL21629348 | 0.74 | BCHE (0.56) | ALDH1A1ALOX5PTGS2CYP2A6MAOA |
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 |