Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3423769 | 0.84 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL1931203 | 0.78 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL7349901 | 0.77 | KDM4E (0.51) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL7351800 | 0.74 | OXTR (0.50) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL8819194 | 0.74 | OXTR (0.50) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL12444067 | 0.74 | ALDH1A1 (0.64) | KDM4EALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL18713914 | 0.74 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL19667102 | 0.74 | LCK (0.65) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL17700509 | 0.73 | HTT (0.55) | KDM4EALDH1A1HPGDHTTMAPK1 | |
| SCHEMBL28786089 | 0.72 | LCK (0.73) | KDM4EALDH1A1HPGDHTTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5726172-A | BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA | MERCK & CO., INC. (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1997025992-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-07-24 | — | — | WO | disclosed |