Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1825695 | 0.90 | PARP1 (0.44) | KDM4EALDH1A1HPGDCHEK1HRH3 | |
| SCHEMBL1823764 | 0.88 | GAA (0.39) | KDM4EALDH1A1CHEK1ACHEMEN1 | |
| SCHEMBL1828535 | 0.88 | GAA (0.47) | KDM4EALDH1A1HPGDCYP2D6CYP2C9 | |
| SCHEMBL1823810 | 0.86 | ALDH1A1 (0.43) | KDM4EALDH1A1HSD17B10CYP2D6MEN1 | |
| SCHEMBL1826204 | 0.86 | MCHR2 (0.38) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL1826566 | 0.86 | DRD4 (0.44) | KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL1821784 | 0.86 | FAAH (0.37) | KDM4EALDH1A1HPGDHSD17B10TUBB4A | |
| SCHEMBL1615772 | 0.85 | TP53 (0.45) | KDM4EALDH1A1HPGDHSD17B10CHEK1 | |
| SCHEMBL1825597 | 0.83 | TUBB4A (0.42) | KDM4EALDH1A1HPGDHSD17B10TP53 | |
| SCHEMBL1823170 | 0.83 | SPHK2 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1794122-B1 | 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I | AVENTIS PHARMA INC (US) | 2011-05-04 | — | — | EP | claimed |