Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.56 |
| ▸ | SYK | P43405 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | CASP1 | P29466 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | KYNU | Q16719 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10966776 | 0.92 | CTRB1 (0.61) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL29012301 | 0.91 | CTRB1 (0.52) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL25636671 | 0.91 | CTRB1 (0.52) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL30141469 | 0.91 | CTRB1 (0.52) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL24461288 | 0.90 | CTRB1 (0.57) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL29012282 | 0.90 | CTRB1 (0.57) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL25635629 | 0.89 | SYK (0.60) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL14530318 | 0.88 | SYK (0.60) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL79250 | 0.88 | CTRB1 (0.57) | CTRB1SYKATMCASP1ALDH1A1 | |
| SCHEMBL555191 | 0.88 | CTRB1 (0.57) | CTRB1SYKATMCASP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |