Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL4026201 | 0.83 | PTGS1 (0.42) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL28047038 | 0.83 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL7113110 | 0.78 | KDM4E (0.67) | KDM4EALDH1A1HPGDCLK4KCNA5 | |
| SCHEMBL23397418 | 0.74 | ALDH1A1 (0.61) | KDM4EALDH1A1HPGDCLK4CDK2 | |
| SCHEMBL5313883 | 0.74 | KDM4E (1.00) | KDM4EALDH1A1HPGDCLK4CCNE2 | |
| SCHEMBL5330253 | 0.70 | KDM4E (0.65) | KDM4EALDH1A1HPGDCLK4KCNA5 | |
| SCHEMBL935169 | 0.69 | ALDH1A1 (0.67) | KDM4EALDH1A1HPGDCLK4KCNA5 | |
| SCHEMBL15638866 | 0.68 | TGFBR1 (0.60) | KDM4EALDH1A1HPGDCLK4CDK2 | |
| SCHEMBL16048953 | 0.68 | KDM4E (0.66) | KDM4EALDH1A1HPGDCLK4KCNA5 | |
| SCHEMBL8486254 | 0.68 | PTGS2 (0.74) | KDM4EALDH1A1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613617-A4 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1613617-A2 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1458708-A4 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004089306-A2 | DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| EP-1458708-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051315-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | disclosed |