Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 2/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.30 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18180190 | 1.00 | AAK1 (0.34) | AAK1P2RX3ADORA1OXTRAVPR1A | |
| SCHEMBL21992548 | 0.89 | HDAC1 (0.35) | AAK1P2RX3ADORA1HDAC1HDAC8 | |
| SCHEMBL21992122 | 0.86 | POLQ (0.38) | AAK1ADORA1BACE1RENMMP13 | |
| SCHEMBL21993354 | 0.86 | AAK1 (0.32) | AAK1P2RX3ADORA1 | |
| SCHEMBL18180346 | 0.86 | USP30 (0.33) | AAK1ADORA1BACE1PAX8USP30 | |
| SCHEMBL18181342 | 0.82 | CTSS (0.46) | CTSSCTSK | |
| SCHEMBL21993350 | 0.80 | STAT3 (0.35) | AAK1ADORA1BACE1HDAC8HDAC6 | |
| SCHEMBL21992592 | 0.80 | KMT2A (0.35) | AAK1ADORA1HDAC1HDAC8PAX8 | |
| SCHEMBL21993353 | 0.78 | ADORA1 (0.30) | AAK1ADORA1BACE1 | |
| SCHEMBL21993358 | 0.78 | PAX8 (0.39) | AAK1ADORA1PAX8 |
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 |