Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CASP6 | P55212 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL11505473 | 0.79 | PDE7A (0.44) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL8168889 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HTTKMT2ALMNACYP1A2 | |
| SCHEMBL14864864 | 0.77 | CTSB (0.42) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL14864868 | 0.77 | POLB (0.51) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL22894548 | 0.77 | SMN1; SMN2 (0.49) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL3642120 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL3642344 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL13236920 | 0.76 | GAA (0.63) | ALDH1A1HTTPOLBKMT2ALMNA | |
| SCHEMBL5362388 | 0.75 | SIRT6 (0.54) | ALDH1A1POLBLMNAGAASMN1; SMN2 | |
| SCHEMBL3638156 | 0.73 | HTT (0.50) | ALDH1A1HTTPOLBLMNACASP6 |
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-8420830-B2 | Macrocyclic factor VIIa inhibitors useful as anticoagulants | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-16 | — | — | US | disclosed |