Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.54 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | LTK | P29376 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | PRKX | P51817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8285712 | 0.85 | LMNA (0.50) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL8285723 | 0.81 | GAA (0.42) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL10908011 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL17927656 | 0.78 | EPAS1 (0.38) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL11090203 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL8285719 | 0.75 | LMNA (0.44) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL8285731 | 0.75 | PTGES (0.44) | CYP1A2PTGESCA12CA2CA4 | |
| SCHEMBL8285720 | 0.75 | ALOX5 (0.41) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL2796295 | 0.74 | CHEK1 (0.44) | ALDH1A1CYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL8285736 | 0.74 | CHEK1 (0.45) | ALDH1A1SMN1; SMN2CHEK1CA12CA2 |
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-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |