Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1337702 | 0.83 | CYP2B6 (0.59) | CYP2B6ALDH1A1TSHRCYP2D6KCNH2 | |
| SCHEMBL1338545 | 0.80 | CYP2B6 (0.55) | CYP2B6ALDH1A1TSHRCYP2D6KCNH2 | |
| SCHEMBL7317038 | 0.79 | SIGMAR1 (0.46) | ALDH1A1TSHRCYP2D6CHRM2CHRM1 | |
| SCHEMBL19296941 | 0.77 | CYP2B6 (0.63) | CYP2B6TSHRCYP2D6KCNH2CHRM2 | |
| SCHEMBL2491599 | 0.77 | CYP2B6 (0.63) | CYP2B6TSHRCYP2D6KCNH2CHRM2 | |
| SCHEMBL11201375 | 0.76 | CYP2B6 (0.52) | CYP2B6ALDH1A1TSHRCYP2D6KCNH2 | |
| SCHEMBL11201380 | 0.76 | CYP2B6 (0.52) | CYP2B6TSHRCYP2D6KCNH2CHRM2 | |
| SCHEMBL11201378 | 0.76 | CYP2B6 (0.52) | CYP2B6TSHRCYP2D6KCNH2CHRM2 | |
| SCHEMBL17810248 | 0.76 | CYP2B6 (0.67) | CYP2B6CYP2D6KCNH2CHRM2CHRM1 | |
| SCHEMBL2392136 | 0.75 | CYP2B6 (0.59) | CYP2B6ALDH1A1TSHRCYP2D6KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2678334-A1 | ANTI-VIRAL COMPOUNDS | Abbvie Inc. (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-2627651-A1 | ANTI-VIRAL COMPOUNDS | Abbvie Inc. (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012116257-A1 | ANTI-VIRAL COMPOUNDS | ABBVIE INC. (US) | 2012-08-30 | — | — | WO | disclosed |
| WO-2012051361-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-04-19 | — | — | WO | disclosed |