Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | BRD4 | O60885 | 7/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL6467927 | 0.87 | GAA (0.44) | ALDH1A1SMN1; SMN2MAPTMAPK1HPGD | |
| SCHEMBL6467203 | 0.86 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2MAPTMAPK1HPGD | |
| SCHEMBL6461819 | 0.84 | P2RX7 (0.39) | ALDH1A1MEN1KMT2AEPHX2 | |
| SCHEMBL6475534 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2MAPTMAPK1POLB | |
| SCHEMBL7049037 | 0.78 | KCNA5 (0.39) | ALDH1A1MAPTPOLBCYP3A4LMNA | |
| SCHEMBL7047980 | 0.77 | TBXA2R (0.37) | ALDH1A1SMN1; SMN2MAPTMEN1CYP3A4 | |
| SCHEMBL7049297 | 0.77 | HPGD (0.40) | ALDH1A1SMN1; SMN2MAPTHPGDPOLB | |
| SCHEMBL7046299 | 0.76 | L3MBTL1 (0.44) | ALDH1A1SMN1; SMN2HPGDPOLBCYP3A4 | |
| SCHEMBL7045334 | 0.76 | CYP1A2 (0.42) | ALDH1A1SMN1; SMN2MAPTMAPK1POLB | |
| SCHEMBL7044845 | 0.76 | KCNA5 (0.39) | ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |