Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12345478 | 0.79 | MAOB (0.39) | MEN1KMT2ALMNA | |
| SCHEMBL1459660 | 0.78 | ERN1 (0.40) | KDM4EALDH1A1SMN1; SMN2DAOTDP1 | |
| SCHEMBL7083313 | 0.76 | CALM1 (0.52) | LMNA | |
| SCHEMBL167999 | 0.74 | TAAR1 (0.52) | ALDH1A1SMN1; SMN2DAOTDP1LMNA | |
| SCHEMBL13377016 | 0.71 | DAO (0.50) | KDM4EALDH1A1DAOMEN1KMT2A | |
| SCHEMBL7497723 | 0.70 | HRH3 (0.34) | TAAR1 | |
| SCHEMBL26987979 | 0.70 | MAOB (0.44) | ALDH1A1LMNA | |
| SCHEMBL7081270 | 0.70 | IL4I1 (0.50) | ALDH1A1SMN1; SMN2PTPN1LMNA | |
| SCHEMBL7930766 | 0.70 | MGLL (0.44) | ALDH1A1SMN1; SMN2LMNATP53 | |
| SCHEMBL5500689 | 0.70 | ALDH1A1 (0.44) | ALDH1A1TDP1MEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |