Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.47 |
| ▸ | ITGAL | P20701 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.44 |
| ▸ | TYK2 | P29597 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PPIA | P62937 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8804032 | 0.81 | ITGB2 (0.46) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| SCHEMBL7411826 | 0.81 | ITGB2 (0.46) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| SCHEMBL7417230 | 0.80 | ITGB2 (0.43) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| SCHEMBL7419439 | 0.77 | ITGB2 (0.43) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| SCHEMBL11056940 | 0.76 | ALDH1A1 (0.49) | ALDH1A1JAK2TYK2HPGDCYP3A4 | |
| SCHEMBL7411327 | 0.75 | ITGB2 (0.44) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| Water SCHEMBL7924276 | 0.74 | TAS1R3 (0.47) | ALDH1A1JAK2TYK2HPGDCYP3A4 | |
| SCHEMBL7418492 | 0.73 | ITGB2 (0.43) | ITGB2ICAM1ITGALALDH1A1JAK2 | |
| SCHEMBL11440641 | 0.73 | JAK2 (0.53) | ALDH1A1JAK2TYK2HPGDCYP3A4 | |
| SCHEMBL4377125 | 0.72 | ALDH1A1 (0.56) | ALDH1A1JAK2TYK2HPGDCYP3A4 |
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-1157003-A1 | ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS | AstraZeneca AB (SE) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000048992-A1 | ACYLATED AMINOACETONITRILES AS CYSTEINE PROTEASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-08-24 | — | — | WO | disclosed |