Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698848 | 0.87 | NOX1 (0.42) | GAANPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL5859225 | 0.82 | GAA (0.44) | GAANPC1TAAR1ALDH1A1MAPT | |
| SCHEMBL4571012 | 0.82 | CYP3A4 (0.46) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL1201869 | 0.82 | CYP3A4 (0.46) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL29422790 | 0.82 | CYP3A4 (0.46) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| Chloroneb SCHEMBL22739 | 0.79 | GAA (0.64) | GAANPC1TAAR1ALDH1A1MAPT | |
| SCHEMBL16609990 | 0.76 | GAA (0.68) | GAANPC1TAAR1ALDH1A1MAPT | |
| SCHEMBL9508874 | 0.76 | GAA (0.33) | GAANPC1TSHR | |
| SCHEMBL3757554 | 0.74 | NPC1 (0.65) | GAANPC1TAAR1ALDH1A1MAPT | |
| SCHEMBL27952777 | 0.74 | GAA (0.65) | GAANPC1TAAR1ALDH1A1MAPT |
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 |