Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDLMNAMAPK1 | |
| SCHEMBL1487907 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4ELMNAMAPK1HTT | |
| SCHEMBL20107681 | 0.79 | KDM4E (0.47) | ALDH1A1KDM4EMAPK1CYP1A2CYP2C9 | |
| SCHEMBL7348451 | 0.78 | KDM4E (0.42) | ALDH1A1KDM4EHPGDLMNAMAPK1 | |
| SCHEMBL1931203 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDLMNAMAPK1 | |
| SCHEMBL15350432 | 0.77 | CYP1A2 (0.54) | ALDH1A1KDM4EHPGDMAPK1RAB9A | |
| SCHEMBL3876532 | 0.77 | CYP1A2 (0.61) | ALDH1A1KDM4EHPGDMAPK1HTT | |
| SCHEMBL5874056 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL2717570 | 0.74 | POLB (0.41) | ALDH1A1KDM4ECYP1A2CYP2C9RXRA | |
| SCHEMBL20521864 | 0.74 | KDM4E (0.51) | ALDH1A1KDM4ELMNAMAPK1HTT |
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 |