Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048343 | 0.85 | NPC1 (0.42) | TDP1ALDH1A1KDM4ESMN1; SMN2POLB | |
| SCHEMBL4042829 | 0.78 | NOS1 (0.34) | NOS1 | |
| SCHEMBL4038866 | 0.78 | SRC (0.39) | MEN1KMT2A | |
| SCHEMBL27398935 | 0.56 | SMPD3 (0.46) | ALDH1A1RECQLTSHRNOS1HSD17B10 | |
| SCHEMBL28145280 | 0.56 | ALDH1A1 (0.39) | TDP1ALDH1A1KDM4EPOLBAPEX1 | |
| Bromide SCHEMBL28899538 | 0.56 | TDP1 (0.37) | TDP1ALDH1A1MAPTKDM4EPOLB | |
| SCHEMBL2857147 | 0.56 | NPC1 (0.41) | HTTTDP1ALDH1A1POLBAPEX1 | |
| SCHEMBL16549064 | 0.56 | LMNA (0.43) | MAPTKDM4EGFERSMN1; SMN2POLB | |
| SCHEMBL28830908 | 0.55 | TDP1 (0.54) | TDP1ALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29261700 | 0.55 | KDM4E (0.42) | TDP1ALDH1A1MAPTKDM4EPOLB |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |