Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | TACR1 | P25103 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AGER | Q15109 | 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 | |
|---|---|---|---|---|
| SCHEMBL4022770 | 1.00 | CA1 (0.54) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL13720747 | 0.86 | CA1 (0.41) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL397022 | 0.77 | CA1 (0.78) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL8328277 | 0.76 | CA1 (0.62) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL27686748 | 0.76 | CA1 (0.62) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL6580596 | 0.76 | CA1 (0.62) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL2628026 | 0.75 | TSHR (0.45) | TACR1TSHRCTSLCTSSCTSK | |
| SCHEMBL7153591 | 0.73 | CA1 (0.76) | CA1CA2CA7CA9TACR1 | |
| SCHEMBL1344877 | 0.73 | TSHR (0.50) | TSHRKMT2APOLBCYP1A2CYP3A4 | |
| SCHEMBL23258692 | 0.72 | CA1 (0.70) | CA1CA2CA7CA9TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |