Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2786823 | 0.79 | MCHR1 (0.42) | GPR84MAPTHTTALDH1A1POLB | |
| SCHEMBL32667391 | 0.79 | CA1 (0.48) | GPR84MAPTHTTALDH1A1L3MBTL1 | |
| SCHEMBL2417535 | 0.79 | CA1 (0.48) | GPR84MAPTHTTALDH1A1L3MBTL1 | |
| SCHEMBL10733167 | 0.78 | GPR84 (0.43) | GPR84MAPTHTTALDH1A1POLB | |
| SCHEMBL29904981 | 0.74 | NQO1 (0.42) | MAPTALDH1A1TDP1LMNAGAA | |
| SCHEMBL30716836 | 0.73 | ALOX5 (0.39) | MAPTPOLBCYP1A2TDP1MEN1 | |
| SCHEMBL12142036 | 0.72 | GABRA1 (0.48) | MAPTPOLBNPSR1GAABCHE | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.72 | ALDH1A1 (0.68) | MAPTALDH1A1L3MBTL1NPSR1GLA | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.72 | ALDH1A1 (0.68) | MAPTALDH1A1L3MBTL1NPSR1GLA | |
| SCHEMBL9507677 | 0.72 | TSHR (0.41) | HTTALDH1A1L3MBTL1LMNAKMT2A |
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 |