Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYBB | P04839 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510009 | 0.83 | KDM4E (0.42) | KDM4EMAPK1MAPTCASP1HPGD | |
| SCHEMBL9511400 | 0.80 | TSHR (0.34) | SMN1; SMN2KDM4EMAPK1MAPTTSHR | |
| SCHEMBL9699600 | 0.80 | ALDH1A1 (0.48) | SMN1; SMN2KDM4EMAPTTSHRCASP1 | |
| SCHEMBL9698398 | 0.80 | ALDH1A1 (0.48) | SMN1; SMN2KDM4EMAPTTSHRCASP1 | |
| SCHEMBL9511441 | 0.78 | GAA (0.45) | SMN1; SMN2KDM4EMAPTTSHRMEN1 | |
| SCHEMBL9511327 | 0.78 | GAA (0.45) | SMN1; SMN2KDM4EMAPTTSHRMEN1 | |
| SCHEMBL10575131 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2MAPK1MAPTTSHRCASP1 | |
| SCHEMBL12325016 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2KDM4EMAPK1MAPTTSHR | |
| SCHEMBL14882628 | 0.73 | ALOX15 (0.47) | SMN1; SMN2KDM4EMAPK1MAPTTSHR | |
| SCHEMBL24616702 | 0.71 | SMN1; SMN2 (0.37) | SMN1; SMN2KDM4EMAPK1MAPTTSHR |
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 |