Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27968331 | 0.83 | CALM1 (0.58) | CALM1ALDH1A1HPGDALOX5LMNA | |
| SCHEMBL7491715 | 0.83 | DAO (0.40) | ALDH1A1HPGDMAOBTP53THRB | |
| SCHEMBL31467963 | 0.81 | — | — | |
| SCHEMBL9375460 | 0.81 | LMNA (0.42) | CALM1ALDH1A1HPGDALOX5LMNA | |
| SCHEMBL1680416 | 0.78 | TBXAS1 (0.47) | CALM1ALDH1A1HPGDALOX5LMNA | |
| (Z)-1,2-Diphenylethene SCHEMBL28198243 | 0.76 | CALM1 (0.44) | CALM1ALDH1A1HPGDALOX5LMNA | |
| Phenylacetaldehyde SCHEMBL8531349 | 0.74 | MAOB (0.57) | CALM1ALDH1A1LMNAMAOBTP53 | |
| SCHEMBL5108763 | 0.74 | TSHR (0.48) | CALM1ALDH1A1HPGDALOX5LMNA | |
| SCHEMBL1680417 | 0.74 | CYP2A6 (0.53) | CALM1ALDH1A1HPGDALOX5LMNA | |
| SCHEMBL27968338 | 0.74 | TP53 (0.48) | CALM1ALDH1A1HPGDALOX5LMNA |
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 |