Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30856082 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL10620933 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL4826054 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL1601224 | 0.78 | RXFP1 (0.58) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL2322798 | 0.77 | RXFP1 (0.56) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL13551973 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL10699294 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDRXFP1MAPTNPC1 | |
| SCHEMBL6262098 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDRXFP1CA1CA2 | |
| SCHEMBL9994891 | 0.77 | ALDH1A1 (0.66) | ALDH1A1HPGDRXFP1NPC1RAB9A | |
| SCHEMBL15594102 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDRXFP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4600797-A | NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-15 | — | — | US | disclosed |
| EP-0049711-B1 | PROCESS FOR THE PRODUCTION OF NITRO-AMINO-BENZENES | BAYER AG (DE) | 1984-02-29 | — | — | EP | disclosed |
| EP-0049711-A1 | Process for the production of nitro-amino-benzenes | BAYER AG (DE) | 1982-04-21 | — | — | EP | disclosed |