Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016539 | 0.89 | KDM4E (0.53) | KDM4EMEN1KMT2AADORA2AADORA1 | |
| SCHEMBL6016407 | 0.81 | KDM4E (0.48) | KDM4ESMN1; SMN2KMT2AADORA2AADORA1 | |
| SCHEMBL6016364 | 0.76 | ALDH1A1 (0.47) | KDM4ESMN1; SMN2MEN1KMT2AADORA2A | |
| SCHEMBL4111269 | 0.76 | MKNK1 (0.51) | KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL7703967 | 0.75 | SSTR2 (0.41) | LTA4HKMT2A | |
| SCHEMBL6016487 | 0.75 | MEN1 (0.46) | KDM4ESMN1; SMN2HRH3MEN1KMT2A | |
| SCHEMBL6016426 | 0.74 | PTPN11 (0.53) | KDM4ESMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL10803226 | 0.74 | CYP1A2 (0.56) | KDM4ESMN1; SMN2DRD3HRH3MEN1 | |
| SCHEMBL8401002 | 0.73 | DRD2 (0.75) | KDM4ESMN1; SMN2DRD2DRD1DRD3 | |
| SCHEMBL11365759 | 0.73 | DRD2 (0.75) | KDM4ESMN1; SMN2DRD2DRD1DRD3 |
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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |