Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14511334 | 1.00 | ALDH1A1 (0.55) | ALDH1A1F2HPGDMMP1MMP2 | |
| SCHEMBL2778162 | 1.00 | ALDH1A1 (0.55) | ALDH1A1F2HPGDMMP1MMP2 | |
| SCHEMBL1363949 | 1.00 | — | — | |
| SCHEMBL5457 | 1.00 | — | — | |
| SCHEMBL7749269 | 1.00 | ALDH1A1 (0.55) | ALDH1A1F2HPGDMMP1MMP2 | |
| SCHEMBL23963672 | 1.00 | ALDH1A1 (0.55) | ALDH1A1F2HPGDMMP1MMP2 | |
| SCHEMBL4129583 | 1.00 | ALDH1A1 (0.55) | ALDH1A1F2HPGDMMP1MMP2 | |
| Ammonia Solution, Strong SCHEMBL7413294 | 0.97 | ALDH1A1 (0.52) | ALDH1A1F2HPGDMMP1MMP2 | |
| Hydrochloric Acid SCHEMBL1649738 | 0.97 | ALDH1A1 (0.52) | ALDH1A1F2HPGDMMP1MMP2 | |
| SCHEMBL1086674 | 0.97 | ALDH1A1 (0.52) | ALDH1A1F2HPGDMMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5929067-A | N-ACYLATING AMINE DERIVATIVE OF CAPROLACTAM COMPOUND WITH A CARBOXYLIC ACID OR DERIVATIVES TO FORM AMIDE DERIVATIVE OF CAPROLACTAM COMPOUND | NOVARTIS AG (CH) | 1999-07-27 | — | — | US | disclosed |
| EP-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |