Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14864876 | 0.80 | FFAR1 (0.40) | ALDH1A1KMT2APOLBGAALMNA | |
| SCHEMBL8168514 | 0.80 | ALDH1A1 (0.41) | ALDH1A1GAALMNACYP2D6CYP1A2 | |
| SCHEMBL8164427 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KMT2AGAALMNACYP2D6 | |
| SCHEMBL18186410 | 0.78 | ALDH1A1 (0.43) | ALDH1A1GAALMNACYP2D6CYP1A2 | |
| SCHEMBL16824953 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KMT2APOLBGAALMNA | |
| SCHEMBL16824841 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KMT2APOLBGAALMNA | |
| SCHEMBL18186409 | 0.76 | ALDH1A1 (0.43) | ALDH1A1GAALMNACYP2D6CYP1A2 | |
| SCHEMBL16824900 | 0.75 | SMN1; SMN2 (0.51) | ALDH1A1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL18186205 | 0.74 | LMNA (0.54) | ALDH1A1GAALMNACYP2D6CYP1A2 | |
| SCHEMBL8164897 | 0.74 | ALDH1A1 (0.44) | ALDH1A1POLBGAALMNAITGA4 |
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-2008079836-A2 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |