Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM4 | O15151 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | YAP1 | P46937 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL8254376 | 0.93 | CYP3A4 (0.47) | MDM4MDM2TSHRCYP3A4ALDH1A1 | |
| SCHEMBL5805018 | 0.93 | CYP3A4 (0.47) | MDM4MDM2TSHRCYP3A4ALDH1A1 | |
| SCHEMBL8259306 | 0.89 | CYP3A4 (0.44) | TSHRCYP3A4ALDH1A1GAAKMT2A | |
| SCHEMBL5910985 | 0.89 | CYP3A4 (0.44) | TSHRCYP3A4ALDH1A1GAAKMT2A | |
| SCHEMBL8259404 | 0.85 | CYP3A4 (0.44) | TSHRCYP3A4ALDH1A1GAAKMT2A | |
| SCHEMBL8293260 | 0.85 | YAP1 (0.46) | TSHRCYP3A4ALDH1A1GAAKMT2A | |
| SCHEMBL5806399 | 0.83 | ITGB1 (0.52) | ITGB1ITGA4 | |
| SCHEMBL8258817 | 0.83 | ITGB1 (0.52) | ITGB1ITGA4 | |
| SCHEMBL19639223 | 0.78 | CTRB1 (0.67) | TSHRCYP3A4ALDH1A1KMT2ANPSR1 | |
| SCHEMBL24945845 | 0.77 | ITGA4 (0.69) | ITGB1ITGA4 |
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-2005042529-A1 | IMPROVED AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS A4 INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-05-12 | — | — | WO | disclosed |