Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18024028 | 0.77 | ALDH1A1 (0.45) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL6755409 | 0.77 | ALDH1A1 (0.49) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL13301165 | 0.74 | ALDH1A1 (0.42) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL5760589 | 0.74 | ALDH1A1 (0.42) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL5364356 | 0.72 | ALDH1A1 (0.41) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL19402821 | 0.71 | ALDH1A1 (0.40) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL16508745 | 0.71 | CA1 (0.46) | ALDH1A1FKBP1AKMT2ACA1CA2 | |
| SCHEMBL21361488 | 0.71 | ALDH1A1 (0.49) | ALDH1A1FKBP1ACA1CA2POLB | |
| SCHEMBL21359124 | 0.71 | CA1 (0.41) | ALDH1A1FKBP1AKMT2AGLACA1 | |
| SCHEMBL19369369 | 0.70 | KDM4E (0.43) | ALDH1A1KMT2ATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101065375-A | Compounds, compositions comprising the compounds, their preparation and their use | ASTRAZENECA AB (SE) | 2007-10-31 | — | — | CN | disclosed |