Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 3/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15661761 | 0.78 | ILK (0.44) | ILKPDPK1CYP2A6ADORA2A | |
| SCHEMBL12320572 | 0.74 | CYP3A4 (0.37) | CYP17A1PDPK1CYP2A6TLR9TLR8 | |
| SCHEMBL8213909 | 0.74 | ADORA1 (0.41) | PDPK1CYP2A6TLR9TLR8TLR7 | |
| SCHEMBL16321501 | 0.71 | PDPK1 (0.46) | PDPK1CYP2A6CCNA2CDK2CCNA1 | |
| SCHEMBL29536204 | 0.71 | ADRB2 (0.52) | AKT2PDPK1CYP2A6TLR9TLR8 | |
| SCHEMBL11768968 | 0.68 | METAP2 (0.53) | PDPK1CYP2A6ADORA2AADORA1 | |
| SCHEMBL11960710 | 0.68 | CYP17A1 (0.38) | CYP17A1PDPK1CYP2A6ADRB2SPHK2 | |
| SCHEMBL102331 | 0.67 | PDPK1 (0.59) | PDPK1CYP2A6ADRB2ADORA2AADORA1 | |
| SCHEMBL4297510 | 0.67 | PDPK1 (0.41) | CYP17A1PDPK1CYP2A6CDK2ADRB2 | |
| SCHEMBL6910076 | 0.67 | PLK1 (0.40) | PDPK1CYP2A6TLR9TLR8TLR7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105189511-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | claimed |
| CN-105189511-B | Inhibitors of human immunodeficiency virus replication | 百时美施贵宝公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-105189510-B | Inhibitors of human immunodeficiency virus replication | 百时美施贵宝公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-105189511-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |
| CN-105189510-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |