Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1889175 | 0.70 | GRIA1 (0.60) | PDPK1ADORA2AKDRGABRA1GABRG2 | |
| SCHEMBL5077820 | 0.70 | GRM5 (0.41) | PDPK1SMPD3KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL452340 | 0.66 | KDM4E (0.57) | PDPK1SMN1; SMN2CYP1A2CYP19A1KDM4E | |
| SCHEMBL28064040 | 0.65 | PDPK1 (0.49) | PDPK1ADORA2ASMN1; SMN2CYP1A2CYP19A1 | |
| SCHEMBL10059504 | 0.65 | PDPK1 (0.53) | ABL1BCRPDPK1ADORA2ACYP1A2 | |
| Fluoride SCHEMBL27903468 | 0.65 | KDM4E (0.55) | PDPK1SMN1; SMN2CYP1A2CYP19A1KDM4E | |
| Ammonia Solution, Strong SCHEMBL28442530 | 0.65 | KDM4E (0.55) | PDPK1SMN1; SMN2CYP1A2CYP19A1KDM4E | |
| SCHEMBL29496947 | 0.63 | CYP19A1 (0.64) | ABL1BCRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL913393 | 0.63 | CYP19A1 (0.64) | ABL1BCRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL30989132 | 0.62 | KDM4E (0.72) | SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613265-A4 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | disclosed |