Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 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 | 0.81 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL7348455 | 0.78 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL1931203 | 0.76 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL15462887 | 0.72 | KDM4E (0.49) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL12444067 | 0.72 | ALDH1A1 (0.64) | KDM4EALDH1A1HPGDHTTLCK | |
| SCHEMBL8595294 | 0.72 | MAPT (0.35) | KDM4E | |
| SCHEMBL7349417 | 0.72 | RAB9A (0.57) | KDM4EALDH1A1LMNAHTTMAPK1 | |
| SCHEMBL2038394 | 0.72 | KDM4E (0.40) | KDM4EALDH1A1NPSR1KMT2A | |
| SCHEMBL7349901 | 0.72 | KDM4E (0.51) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL18713914 | 0.72 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDLMNAHTT |
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 |