Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CCKBR | P32239 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7519979 | 0.85 | CYP2D6 (0.67) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL7523636 | 0.82 | CYP2D6 (0.53) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL7521494 | 0.81 | KDM4E (0.53) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL7520532 | 0.81 | MEN1 (0.50) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL7522074 | 0.80 | SSTR3 (0.58) | KDM4ETSHRALDH1A1MEN1KMT2A | |
| SCHEMBL504399 | 0.80 | KDM4E (0.74) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL10843678 | 0.80 | KDM4E (0.74) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL1934152 | 0.80 | KDM4E (0.74) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL5680135 | 0.80 | KDM4E (0.74) | KDM4ETSHRHTTHSD17B10ALDH1A1 | |
| SCHEMBL31310810 | 0.80 | KDM4E (0.74) | KDM4ETSHRHTTHSD17B10ALDH1A1 |
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-0891187-B1 | USE OF DERIVATIVES OF TETRAHYDRO-BETA-CARBOLINES AS ANTIMETASTATIC AGENTS | HOFFMANN LA ROCHE (CH) | 2002-01-30 | — | — | EP | claimed |