Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1522100 | 0.82 | TDP1 (0.50) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL29467174 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL202927 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL3249188 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL17673221 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL9501122 | 0.78 | TDP1 (0.50) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL1137286 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL541578 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL1135488 | 0.78 | GPR35 (0.44) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL6640614 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ATDP1KDM4E |
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 | claimed |
| WO-1997022590-A1 | NITRATION OF AROMATIC COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1997-06-26 | — | — | WO | claimed |