Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21890782 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL7300108 | 0.84 | HDAC2 (0.51) | ALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL7300112 | 0.84 | HDAC2 (0.51) | ALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL28254030 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL10154019 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL7789499 | 0.79 | CYP3A4 (0.54) | CYP3A4NAMPTALDH1A1MAPTLMNA | |
| SCHEMBL7796461 | 0.79 | CYP3A4 (0.54) | CYP3A4NAMPTALDH1A1MAPTLMNA | |
| SCHEMBL15219639 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL27595249 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL12401232 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0863915-A1 | ACYLATED ENOL DERIVATIVES OF $g(a)-KETOESTERS AND $g(a)-KETOAMIDES | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997020856-A1 | ACYLATED ENOL DERIVATIVES OF α-KETOESTERS AND α-KETOAMIDES | HOECHST MARION ROUSSEL, INC. (US) | 1997-06-12 | — | — | WO | disclosed |