Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.64 |
| ▸ | CA1 | P00915 | 4/20 | 0.64 |
| ▸ | CA2 | P00918 | 4/20 | 0.64 |
| ▸ | CA9 | Q16790 | 4/20 | 0.64 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2890927 | 0.80 | CA12 (0.55) | CA12CA1CA2CA9ABCC1 | |
| SCHEMBL29088214 | 0.78 | CA12 (0.53) | CA12CA1CA2CA9ABCC1 | |
| SCHEMBL7919091 | 0.75 | MAPK1 (0.65) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL1395504 | 0.72 | KMT2A (0.49) | ABCC1ABCB1KMT2AMEN1TDP1 | |
| SCHEMBL30838856 | 0.69 | CA12 (0.46) | CA12CA1CA2CA9 | |
| SCHEMBL7918730 | 0.69 | ABCC1 (0.49) | ABCC1ABCB1KMT2AMEN1TDP1 | |
| SCHEMBL28377553 | 0.69 | CA12 (0.46) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL23827200 | 0.68 | CA12 (0.49) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL9173319 | 0.67 | ABCC1 (1.00) | CA12CA1CA2CA9ABCC1 | |
| SCHEMBL29187695 | 0.67 | CA12 (0.44) | CA12CA1CA2CA9 |
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-1021412-A1 | NITRATION OF AROMATIC COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-26 | — | — | EP | disclosed |
| WO-1997022590-A1 | NITRATION OF AROMATIC COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1997-06-26 | — | — | WO | disclosed |