Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 3/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | STAT5B | P51692 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.32 |
| ▸ | PER2 | O15055 | 1/20 | 0.32 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.32 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 4/20 | 0.31 |
| ▸ | CTSD | P07339 | 3/20 | 0.31 |
| ▸ | KDM1A | O60341 | 3/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18180346 | 0.86 | USP30 (0.33) | AAK1ADORA1USP30BACE1PAX8 | |
| SCHEMBL18180211 | 0.82 | KDM1A (0.45) | KDM1AMAOA | |
| SCHEMBL18180190 | 0.80 | AAK1 (0.34) | AAK1ADORA1USP30BACE1CTSD | |
| SCHEMBL21993352 | 0.80 | AAK1 (0.34) | AAK1ADORA1USP30BACE1CTSD | |
| SCHEMBL21992548 | 0.79 | HDAC1 (0.35) | AAK1ADORA1HDAC8HDAC6PAX8 | |
| SCHEMBL21992122 | 0.78 | POLQ (0.38) | POLQAAK1ADORA1BACE1CTSD | |
| SCHEMBL18180021 | 0.78 | DPP4 (0.38) | STAT3POLQPER2CRY1CRY2 | |
| SCHEMBL21993354 | 0.77 | AAK1 (0.32) | AAK1ADORA1 | |
| SCHEMBL21992663 | 0.76 | ADORA1 (0.33) | AAK1ADORA1PAX8 | |
| SCHEMBL21992323 | 0.76 | AAK1 (0.36) | AAK1 |
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-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |