Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4041089 | 0.84 | MEN1 (0.35) | KDM4EMEN1KMT2ABCHEGAA | |
| SCHEMBL4044405 | 0.83 | KDM4E (0.37) | ALDH1A1KDM4EFFAR1L3MBTL1 | |
| SCHEMBL4043224 | 0.83 | BCHE (0.35) | BCHEMAPK8BACE1 | |
| SCHEMBL4038669 | 0.82 | CD274 (0.38) | ALDH1A1KMT2AFFAR1 | |
| SCHEMBL5720767 | 0.80 | TXNRD1 (0.39) | ALDH1A1KDM4EBCHEGAATDP1 | |
| SCHEMBL4048154 | 0.77 | BCHE (0.43) | MEN1KMT2ABCHEFFAR1BACE1 | |
| SCHEMBL4047555 | 0.76 | SIRT1 (0.38) | ALDH1A1KDM4EGAAL3MBTL1OPRM1 | |
| SCHEMBL4040092 | 0.74 | RPS6KB1 (0.37) | ALDH1A1KDM4EKMT2ABCHETDP1 | |
| SCHEMBL4045031 | 0.73 | KDM1A (0.46) | MEN1KMT2ABCHEBACE1 | |
| SCHEMBL4044458 | 0.72 | ADRB2 (0.39) | KDM4EMEN1KMT2AMETAP2METAP1 |
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 |