Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM4B | O94953 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.41 |
| ▸ | LATS1 | O95835 | 8/20 | 0.40 |
| ▸ | LATS2 | Q9NRM7 | 6/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL10727523 | 0.85 | CA12 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL18878944 | 0.81 | LATS1 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31375766 | 0.78 | ALK (0.54) | ADRA1AEGFRALK | |
| SCHEMBL248690 | 0.76 | HTR1A (0.63) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL20265479 | 0.76 | MAPT (0.43) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL695985 | 0.74 | HTR1A (0.61) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL696334 | 0.74 | HTR1A (0.61) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL3811981 | 0.74 | NCF1 (0.57) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL4251625 | 0.73 | MAPK10 (0.53) | HTR1AADRA1DADRA1AADRA1BPLK4 | |
| SCHEMBL3322882 | 0.72 | EGFR (0.56) | KDM4AKDM4BKDM5CKDM4CKDM5B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139333-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008118414-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-10-02 | — | — | WO | disclosed |