Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 11/20 | 0.45 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.43 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 3/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1716152 | 0.83 | TTBK1 (0.44) | PTK2TTBK1TTBK2PAK4SYK | |
| SCHEMBL27873610 | 0.81 | CYP2C9 (0.45) | PTK2TTBK1TTBK2LRRK2CYP1A2 | |
| SCHEMBL27734026 | 0.73 | KDR (0.41) | PTK2 | |
| SCHEMBL1716161 | 0.69 | KCNH2 (0.64) | PTK2TTBK1TTBK2LRRK2CYP1A2 | |
| SCHEMBL29678152 | 0.69 | KCNH2 (0.64) | PTK2TTBK1TTBK2LRRK2CYP1A2 | |
| SCHEMBL1716090 | 0.68 | KCNH2 (0.57) | PTK2TTBK1TTBK2LRRK2CYP1A2 | |
| SCHEMBL1716213 | 0.68 | TERT (0.38) | TTBK1TTBK2PAK4SYKCYP1A2 | |
| SCHEMBL28736324 | 0.67 | CA12 (0.51) | SYKCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11936691 | 0.67 | CYP2C9 (0.46) | PTK2TTBK1TTBK2LRRK2CYP1A2 | |
| SCHEMBL11936692 | 0.67 | KCNH2 (0.55) | PTK2TTBK1TTBK2CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101233135-B | Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus | ARDEA BIOSCIENCES INC | 2012-10-03 | — | — | CN | disclosed |
| CN-101233135-A | Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus | ARDEA BIOSCIENCES INC (US) | 2008-07-30 | — | — | CN | disclosed |