Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511322 | 0.76 | GAA (0.50) | GAANPC1TSHR | |
| SCHEMBL9698848 | 0.66 | NOX1 (0.42) | GAANPC1MAPK10MAPK14 | |
| SCHEMBL5859225 | 0.63 | GAA (0.44) | GAANPC1TSHRMAPK10MAPK14 | |
| SCHEMBL1201869 | 0.62 | CYP3A4 (0.46) | TSHR | |
| SCHEMBL4571012 | 0.62 | CYP3A4 (0.46) | TSHR | |
| SCHEMBL29422790 | 0.62 | CYP3A4 (0.46) | TSHR | |
| SCHEMBL9508910 | 0.62 | ALDH1A1 (0.36) | GAANPC1 | |
| Chloroneb SCHEMBL22739 | 0.60 | GAA (0.64) | GAANPC1TSHR | |
| SCHEMBL16609990 | 0.58 | GAA (0.68) | GAANPC1 | |
| SCHEMBL30669761 | 0.58 | HTR2A (0.51) | GAANPC1 |
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 |