Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1515735 | 0.89 | ACP3 (0.49) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL7727749 | 0.84 | ACP3 (0.41) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL3398965 | 0.82 | CYP19A1 (0.39) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL13278454 | 0.82 | CNR2 (0.42) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL4686827 | 0.81 | TP53 (0.44) | CNR1TDP1LMNAATMIDO1 | |
| SCHEMBL1515902 | 0.80 | IDO1 (0.48) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL1978297 | 0.80 | HSD17B10 (0.46) | TSHRHIF1ATDP1MAPK1LMNA | |
| SCHEMBL11458875 | 0.79 | IDO1 (0.51) | CNR1TDP1MAPK1LMNAMAPT | |
| SCHEMBL8591339 | 0.78 | ACP3 (0.44) | CNR1TSHRHIF1ATDP1MAPK1 | |
| SCHEMBL3907562 | 0.77 | ACP3 (0.39) | CNR1TSHRHIF1ATDP1MAPK1 |
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 10 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 |
| EP-1682550-A4 | SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES | MERCK & CO INC (US) | 2007-01-03 | — | — | EP | disclosed |
| EP-1682550-A1 | SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES | Merck & Co., Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| EP-1558252-A4 | SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES | MERCK & CO INC (US) | 2006-05-17 | — | — | EP | disclosed |
| EP-1558252-A2 | SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2005047285-A1 | SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES | MERCK & CO., INC. (US) | 2005-05-26 | — | — | WO | disclosed |
| EP-1492784-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | Merck & Co., Inc. (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2004012671-A2 | SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES | MERCK & CO., INC. (US) | 2004-02-12 | — | — | WO | disclosed |
| WO-2003082191-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |