Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLI1 | P08151 | 2/20 | 0.55 |
| ▸ | GLI2 | P10070 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL1006444 | 0.75 | HTT (0.71) | ALDH1A1HPGDHTTMEN1KMT2A | |
| SCHEMBL11890139 | 0.74 | CTNNB1 (0.54) | ALDH1A1HPGDHTTCTNNB1WNT3A | |
| SCHEMBL15324284 | 0.74 | GLI1 (0.50) | GLI1GLI2ALDH1A1HPGDKDM4E | |
| SCHEMBL15253052 | 0.73 | MAOA (0.51) | GLI1GLI2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10794042 | 0.72 | ALDH1A1 (0.66) | ALDH1A1HPGDHTTMEN1KMT2A | |
| SCHEMBL7628593 | 0.72 | MAOA (0.49) | GLI1GLI2ALDH1A1HPGDKDM4E | |
| SCHEMBL11616880 | 0.72 | TERT (0.52) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL13430558 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HPGDHTTMEN1KMT2A | |
| SCHEMBL4463432 | 0.72 | KDM4E (0.50) | GLI1GLI2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL5484862 | 0.72 | OPRM1 (0.60) | ALDH1A1HPGDKDM4EENPP2HSD17B10 |
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-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |