Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825878 | 0.78 | MEN1 (0.50) | GAAALDH1A1GFERHPGDTSHR | |
| SCHEMBL5273127 | 0.76 | GAA (0.52) | GAAALDH1A1TSHRNFKB1CYP1A2 | |
| SCHEMBL5281926 | 0.75 | MTNR1A (0.49) | GAAALDH1A1TSHRMAPTNFKB1 | |
| SCHEMBL7549706 | 0.74 | CYP3A4 (0.43) | GAAALDH1A1HPGDTSHRMAPT | |
| SCHEMBL9207785 | 0.73 | GAA (0.56) | GAAALDH1A1GFERSLC7A5HPGD | |
| SCHEMBL27576158 | 0.73 | KDM4E (0.46) | GAAALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL6823836 | 0.73 | ESR1 (0.40) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL5273424 | 0.72 | CYP1A2 (0.43) | GAAALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL29446278 | 0.71 | GAA (0.72) | GAAALDH1A1GFERHPGDTSHR | |
| SCHEMBL3668882 | 0.71 | GAA (0.72) | GAAALDH1A1GFERHPGDTSHR |
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-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |