Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYBB | P04839 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | SNCA | P37840 | 1/20 | 0.56 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.56 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003629 | 1.00 | MAPT (0.56) | MAPTNOX1KMT2AMEN1CYBB | |
| SCHEMBL2129616 | 0.94 | MAPT (0.65) | MAPTNOX1KMT2AMEN1CYBB | |
| SCHEMBL9509967 | 0.86 | NOX1 (0.45) | MAPTNOX1KMT2AMEN1CYBB | |
| SCHEMBL5358787 | 0.79 | MAPT (0.46) | MAPTNOX1KMT2AMEN1CYBB | |
| SCHEMBL68522 | 0.79 | TSHR (0.50) | MAPTGAAALOX15LMNAL3MBTL1 | |
| SCHEMBL12106079 | 0.79 | TSHR (0.50) | MAPTGAAALOX15LMNAL3MBTL1 | |
| SCHEMBL29007331 | 0.77 | ALDH1A1 (0.38) | MAPTNOX1KMT2AMEN1CYBB | |
| Hydrochloric Acid SCHEMBL28973305 | 0.77 | TSHR (0.48) | MAPTGAALMNAL3MBTL1MAPK1 | |
| SCHEMBL9511394 | 0.77 | MAPT (0.36) | MAPTNOX1KMT2AMEN1CYBB | |
| SCHEMBL9511142 | 0.77 | ALDH1A1 (0.38) | MAPTNOX1KMT2AMEN1CYBB |
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 |