Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.41 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.41 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL9692864 | 1.00 | SLC2A1 (0.61) | SLC2A1CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL9690461 | 0.99 | SLC2A1 (0.60) | SLC2A1CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL9690465 | 0.99 | SLC2A1 (0.60) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL9693003 | 0.97 | SLC2A1 (0.58) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL9693001 | 0.97 | SLC2A1 (0.58) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL9692220 | 0.95 | SLC2A1 (0.68) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL9692216 | 0.95 | SLC2A1 (0.68) | SLC2A1CA1CA2CA7CA9 | |
| Perchlorate SCHEMBL9693026 | 0.94 | SLC2A1 (0.55) | SLC2A1CA1CA2CA7CA9 | |
| Perchlorate SCHEMBL9693029 | 0.94 | SLC2A1 (0.55) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL9692535 | 0.93 | SLC2A1 (0.57) | SLC2A1CA1CA2CA7CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0170524-B1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-15 | — | — | EP | claimed |
| CN-85106609-A | The preparation of isoquinilone derivatives and contain the prescription of these compounds | — | 1987-03-25 | — | — | CN | claimed |
| EP-0170524-A2 | Nitrogen containing heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-02-05 | — | — | EP | claimed |
| EP-0170524-B1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-15 | — | — | EP | disclosed |
| US-4968698-A | FUNGICIDES, ANTIPROTOZOA AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0170524-A2 | Nitrogen containing heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-02-05 | — | — | EP | disclosed |