Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11641394 | 0.91 | CYP3A4 (0.50) | PTPN1CYP19A1CYP3A4NPC1RAB9A | |
| SCHEMBL2399205 | 0.86 | SLC22A12 (0.50) | PTPN1ABCG2ABCB1ARACHE | |
| SCHEMBL29477373 | 0.81 | BCHE (0.69) | ABCG2ACHEBCHECYP19A1CYP3A4 | |
| SCHEMBL31022637 | 0.81 | BCHE (0.69) | ABCG2ACHEBCHECYP19A1CYP3A4 | |
| SCHEMBL6726363 | 0.81 | BCHE (0.69) | ABCG2ACHEBCHECYP19A1CYP3A4 | |
| SCHEMBL6726368 | 0.81 | BCHE (0.69) | ABCG2ACHEBCHECYP19A1CYP3A4 | |
| SCHEMBL2399200 | 0.79 | MAOB (0.68) | MAOBCYP19A1CYP3A4 | |
| SCHEMBL17138198 | 0.78 | GAA (0.45) | ABCG2ABCB1ARACHEBCHE | |
| SCHEMBL6723899 | 0.78 | MAOB (0.62) | ABCG2ABCB1ARACHEMAOB | |
| SCHEMBL11636342 | 0.77 | CYP19A1 (0.50) | PTPN1ABCG2ABCB1ARACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4461907-A | Amino-substituted flavans useful as anti-viral agents | BURROUGHS WELLCOME CO. | 1984-07-24 | — | — | US | disclosed |
| EP-0004579-B1 | FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-08-18 | — | — | EP | disclosed |
| EP-0051061-A2 | Novel intermediates and process for their preparation | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-05-05 | — | — | EP | disclosed |
| EP-0004579-A1 | Flavans, process for their preparation and pharmaceutical compositions containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-10-17 | — | — | EP | disclosed |