Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | VEGFA | P15692 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28574194 | 0.85 | FABP7 (0.40) | BACE1 | |
| SCHEMBL8002249 | 0.81 | HAO1 (0.44) | — | |
| SCHEMBL704145 | 0.79 | CA4 (0.37) | TSHRSMN1; SMN2 | |
| SCHEMBL7092637 | 0.78 | CYP3A4 (0.42) | TSHR | |
| SCHEMBL3287158 | 0.78 | CA12 (0.41) | SLC6A2SLC6A4SLC6A3TBXAS1MGLL | |
| SCHEMBL7227692 | 0.78 | HAO1 (0.40) | BACE1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4470099 | 0.77 | MAOB (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31637439 | 0.77 | MAOB (0.49) | TSHR | |
| SCHEMBL8135354 | 0.77 | — | — | |
| SCHEMBL29910455 | 0.77 | MAOB (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770598-A | ANTITUMOR AGENTS; REACTING WITH CARBONYL DIIMIDAZOLE AND AMIDOXIMES | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 1998-06-23 | — | — | US | disclosed |
| EP-0769012-A1 | TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-04-23 | — | — | EP | disclosed |
| WO-1996001827-A1 | TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-01-25 | — | — | WO | disclosed |