Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 5/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9693193 | 1.00 | SLC2A1 (0.55) | SLC2A1MAOAMAOBLCKCCNB2 | |
| SCHEMBL9690674 | 0.93 | LCK (0.53) | SLC2A1MAOAMAOBLCKCCNB2 | |
| SCHEMBL9692105 | 0.93 | LCK (0.53) | SLC2A1MAOAMAOBLCKCCNB2 | |
| SCHEMBL10455397 | 0.90 | SLC2A1 (0.69) | SLC2A1MAOAMAOBHRH3ALOX5 | |
| SCHEMBL9693074 | 0.90 | SLC2A1 (0.69) | SLC2A1MAOAMAOBHRH3ALOX5 | |
| SCHEMBL10455092 | 0.86 | MAOA (0.48) | SLC2A1MAOAMAOBLCKHRH3 | |
| SCHEMBL10455094 | 0.86 | MAOA (0.48) | SLC2A1MAOAMAOBLCKHRH3 | |
| SCHEMBL9692520 | 0.86 | LCK (0.49) | SLC2A1MAOAMAOBLCKHRH3 | |
| SCHEMBL9693037 | 0.86 | LCK (0.49) | SLC2A1MAOAMAOBLCKHRH3 | |
| SCHEMBL9692361 | 0.86 | SLC2A1 (0.57) | SLC2A1MAOAMAOBHRH3ALOX5 |
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 4 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 |
| EP-0170524-A2 | Nitrogen containing heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-02-05 | — | — | EP | claimed |
| 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 |