Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 9/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104878 | 0.82 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL4571012 | 0.82 | CYP3A4 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29422790 | 0.82 | CYP3A4 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1201869 | 0.82 | CYP3A4 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL28799442 | 0.79 | POLB (0.61) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL298224 | 0.79 | POLB (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL580565 | 0.74 | POLB (0.54) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30202128 | 0.74 | POLB (0.54) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10122740 | 0.73 | TSHR (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL9508099 | 0.73 | AHR (0.37) | — |
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 |