Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PPIA | P62937 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | JAK1 | P23458 | 2/20 | 0.46 |
| ▸ | TYK2 | P29597 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | GALK1 | P51570 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12889784 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTPPIAJAK2 | |
| SCHEMBL5023391 | 0.77 | KMT2A (0.49) | PPIAJAK2JAK1TYK2RAB9A | |
| SCHEMBL11440641 | 0.76 | JAK2 (0.53) | ALDH1A1HPGDMAPTPPIAJAK2 | |
| SCHEMBL4157657 | 0.75 | DOT1L (0.56) | ALDH1A1HPGDMAPTJAK2JAK1 | |
| SCHEMBL8668403 | 0.73 | MAPT (0.47) | ALDH1A1HPGDMAPTPPIAJAK2 | |
| SCHEMBL13689825 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTJAK2JAK1 | |
| SCHEMBL3375707 | 0.73 | LCK (0.46) | ALDH1A1HPGDMAPTPPIAJAK2 | |
| SCHEMBL9350186 | 0.73 | PPIA (0.50) | ALDH1A1HPGDMAPTPPIAJAK2 | |
| SCHEMBL22519231 | 0.73 | TYK2 (0.51) | ALDH1A1HPGDMAPTJAK2JAK1 | |
| SCHEMBL11005407 | 0.73 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPTJAK2JAK1 |
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-2806898-B1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | HOFFMANN LA ROCHE (CH) | 2018-07-18 | — | — | EP | disclosed |