Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 3/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | SLC9A5 | Q14940 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL6866620 | 0.96 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| SCHEMBL6862168 | 0.90 | KDM4E (0.42) | ALDH1A1KDM4ESMN1; SMN2SLC6A9HRH1 | |
| Dimethylaminoethanol SCHEMBL6868764 | 0.87 | HTR1B (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| Dimethylaminoethanol SCHEMBL6869363 | 0.87 | HTR7 (0.52) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| SCHEMBL6866783 | 0.84 | CHRM2 (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| Dimethylaminoethanol SCHEMBL6016335 | 0.84 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| SCHEMBL6862736 | 0.83 | KDM4E (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| SCHEMBL6861974 | 0.82 | HTR7 (0.56) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| SCHEMBL6862186 | 0.82 | HTR1B (0.47) | ALDH1A1KDM4ESMN1; SMN2HTR7SLC6A9 | |
| Dimethylaminoethanol SCHEMBL6871396 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2HTR7ESR1 |
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-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |