Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | MEN1 | O00255 | 5/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | PDE5A | O76074 | 4/20 | 0.56 |
| ▸ | CCKBR | P32239 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320595 | 0.86 | PDE5A (0.77) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL8323007 | 0.85 | CYP2D6 (0.71) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL8325074 | 0.85 | PDE5A (0.76) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL17760580 | 0.85 | CYP2D6 (0.71) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL8316773 | 0.85 | CYP2D6 (0.71) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL8321391 | 0.85 | CYP2D6 (0.71) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL764194 | 0.83 | CYP2D6 (1.00) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL29630317 | 0.83 | CYP2D6 (1.00) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL4787100 | 0.83 | CYP2D6 (1.00) | CYP2D6TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL17760630 | 0.83 | CYP2D6 (1.00) | CYP2D6TSHRMAPK1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004113336-A1 | CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS | CHROMA THERAPEUTICS LIMITED (GB) | 2004-12-29 | — | — | WO | disclosed |