Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 3/20 | 0.33 |
| ▸ | TLR2 | O60603 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| (2-Nitrovinyl)Benzene SCHEMBL8152119 | 0.77 | FBP1 (0.42) | FBP1KMT2AALDH1A1MEN1MAPK1 | |
| SCHEMBL6969488 | 0.76 | ALDH1A1 (0.47) | KMT2AALDH1A1MEN1MAPK1LMNA | |
| SCHEMBL6969479 | 0.76 | ALDH1A1 (0.47) | KMT2AALDH1A1MEN1MAPK1LMNA | |
| Hydrochloric Acid SCHEMBL6965397 | 0.75 | ALDH1A1 (0.46) | KMT2AALDH1A1MEN1MAPK1LMNA | |
| (2-Nitrovinyl)Benzene SCHEMBL21631242 | 0.72 | FBP1 (0.58) | FBP1KMT2AALDH1A1MEN1MAPK1 | |
| SCHEMBL8552646 | 0.71 | CA1 (0.41) | CA1KMT2AALDH1A1MEN1MAPK1 | |
| SCHEMBL6974041 | 0.68 | SLC6A3 (0.35) | KMT2AALDH1A1LMNANPSR1L3MBTL1 | |
| SCHEMBL6976988 | 0.66 | ALDH1A1 (0.50) | KMT2AALDH1A1MEN1MAPK1LMNA | |
| SCHEMBL6976986 | 0.66 | ALDH1A1 (0.50) | KMT2AALDH1A1MEN1MAPK1LMNA | |
| SCHEMBL6976996 | 0.66 | ALDH1A1 (0.50) | KMT2AALDH1A1MEN1MAPK1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | claimed |