Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10271656 | 0.89 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL10220691 | 0.88 | ALDH1A1 (0.38) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL8007996 | 0.87 | ALDH1A1 (0.36) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL314362 | 0.86 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL7995957 | 0.86 | ALDH1A1 (0.36) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL15216094 | 0.86 | SLC2A1 (0.37) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL16579241 | 0.83 | ALDH1A1 (0.37) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL8008865 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL7995961 | 0.78 | SLC2A1 (0.43) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL577561 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MEN1CYP1A2MAPK1CYP2C19 |
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-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |