Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PYGL | P06737 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1931203 | 0.86 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL3423769 | 0.85 | ALDH1A1 (0.55) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL15524015 | 0.84 | KDM4E (0.58) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL7347988 | 0.84 | GAA (0.50) | KDM4EALDH1A1HPGDHTTLMNA | |
| SCHEMBL23905419 | 0.84 | HTT (0.46) | KDM4EALDH1A1HPGDPTGS2HTT | |
| SCHEMBL20724883 | 0.82 | HTT (0.57) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL19667102 | 0.81 | LCK (0.65) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL18713914 | 0.81 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL2596409 | 0.80 | ALDH1A1 (0.54) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL2664109 | 0.80 | CTSD (0.50) | KDM4EALDH1A1HTTLMNARAB9A |
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 |