Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508103 | 1.00 | CD44 (0.46) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11595271 | 0.89 | CD44 (0.35) | CD44CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL9508168 | 0.79 | CYP2A6 (0.39) | LMNA | |
| SCHEMBL10652247 | 0.79 | AHR (0.44) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9510026 | 0.78 | AHR (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11427006 | 0.78 | CYP3A4 (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13502102 | 0.76 | CD44 (0.44) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL120848 | 0.75 | CD44 (0.61) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8261003 | 0.72 | CD44 (0.58) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| Water SCHEMBL29026586 | 0.72 | CD44 (0.58) | CD44GRIN2DGRIN3BGRIN1GRIN2A |
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 4 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 |
| US-4069264-A | CHLORINE, LEWIS ACID CATALYST, THIANTHRENE COMPOUND AS CO-CATALYST | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1978-01-17 | — | — | US | disclosed |