Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 6/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29496936 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL30772304 | 0.82 | ASIC3 (0.67) | CYP2A6GRM5TLR4TLR2ASIC3 | |
| SCHEMBL29472032 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL29141519 | 0.82 | ASIC3 (0.67) | CYP2A6GRM5TLR4TLR2ASIC3 | |
| SCHEMBL4905631 | 0.82 | GRM5 (0.47) | CYP2A6GRM5CNR1TLR4TLR2 | |
| SCHEMBL1133442 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL502867 | 0.80 | KDM4E (0.62) | CYP2A6GRM5CNR1TLR4TLR2 | |
| SCHEMBL29679578 | 0.80 | KDM4E (0.62) | CYP2A6GRM5CNR1TLR4TLR2 | |
| SCHEMBL27825291 | 0.79 | KDM4E (0.50) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL14634354 | 0.79 | CYP2A6 (0.56) | CYP2A6GRM5KDM4ELMNACCR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101998959-B | Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) | BIOMARIN PHARM INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101998959-A | Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) | LEAD THERAPEUTICS INC | 2011-03-30 | — | — | CN | disclosed |
| US-3932392-A | DICYCLOHEXYLAMINE, DIISOPROPYLAMINE | BRISTOL-MYERS COMPANY (US) | 1976-01-13 | — | — | US | disclosed |