Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINH1 | P50454 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.31 |
| ▸ | NQO2 | P16083 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511327 | 0.66 | GAA (0.45) | SERPINH1ABL1CA12CA1CA2 | |
| SCHEMBL9511441 | 0.66 | GAA (0.45) | SERPINH1ABL1CA12CA1CA2 | |
| SCHEMBL523584 | 0.60 | ABL1 (0.57) | ABL1CA12CA1CA2CA7 | |
| SCHEMBL1953848 | 0.60 | GAA (0.58) | ABL1CA12CA1CA2CA7 | |
| SCHEMBL70011 | 0.60 | GAA (0.58) | ABL1CA12CA1CA2CA7 | |
| SCHEMBL9508968 | 0.60 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL20889413 | 0.60 | ABL1 (0.44) | SERPINH1ABL1GAARXFP1NR4A2 | |
| SCHEMBL829753 | 0.59 | CA12 (0.54) | ABL1CA12CA1CA2CA7 | |
| SCHEMBL71501 | 0.59 | GAA (0.52) | ABL1CA12CA1CA2CA7 | |
| SCHEMBL23898722 | 0.59 | ABL1 (0.46) | ABL1CA12CA1CA2CA7 |
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 2 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 |