Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL5910985 | 1.00 | CYP3A4 (0.44) | CYP3A4TSHRALDH1A1CTSLMEN1 | |
| SCHEMBL8293264 | 0.89 | MDM4 (0.49) | CYP3A4TSHRALDH1A1MEN1MAPT | |
| SCHEMBL8254376 | 0.88 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1MEN1MAPT | |
| SCHEMBL5805018 | 0.88 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1MEN1MAPT | |
| SCHEMBL8293260 | 0.81 | YAP1 (0.46) | CYP3A4TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL8259404 | 0.81 | CYP3A4 (0.44) | CYP3A4TSHRALDH1A1MEN1MAPT | |
| SCHEMBL5806399 | 0.79 | ITGB1 (0.52) | ITGA4ITGB1 | |
| SCHEMBL8258817 | 0.79 | ITGB1 (0.52) | ITGA4ITGB1 | |
| SCHEMBL10445399 | 0.77 | CTSL (0.65) | CYP3A4TSHRALDH1A1CTSLMEN1 | |
| SCHEMBL10445398 | 0.77 | CTSL (0.65) | CYP3A4TSHRALDH1A1CTSLMEN1 |
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-2006096807-A1 | AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS ALPHA 4 INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-09-14 | — | — | WO | disclosed |