Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 9/20 | 0.42 |
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | PKM | P14618 | 5/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.42 |
| ▸ | MITF | O75030 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160913 | 1.00 | KDM4E (0.43) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL12560610 | 0.85 | KDM4E (0.54) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL834329 | 0.85 | KDM4E (0.54) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL1428592 | 0.85 | KDM4E (0.54) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL29048389 | 0.81 | CES2 (0.48) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL2014239 | 0.77 | GRM5 (0.45) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| SCHEMBL29399634 | 0.77 | — | — | |
| SCHEMBL148839 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30978142 | 0.75 | GRM5 (0.44) | KDM4EALDH1A1KMT2ARAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL1967254 | 0.75 | GRM5 (0.44) | KDM4EALDH1A1KMT2ARAB9ANPC1 |
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-1458708-A4 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-11-16 | — | — | EP | disclosed |
| EP-1458708-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | disclosed |
| WO-2003051315-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | disclosed |