Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | ILK | Q13418 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL163689 | 0.82 | — | — | |
| SCHEMBL938 | 0.82 | — | — | |
| SCHEMBL27996263 | 0.82 | XDH (0.33) | MAPTLMNANOS1CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL27975795 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL30986727 | 0.80 | — | — | |
| SCHEMBL1066878 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL30767694 | 0.80 | — | — | |
| SCHEMBL28492801 | 0.79 | ABCC8 (0.35) | MAPTLMNANOS1CYP3A4ALOX15 | |
| Hydroxyamine SCHEMBL30767687 | 0.77 | MAPT (0.37) | MAPTLMNANOS1CYP3A4ALOX15 | |
| Bicarbonate SCHEMBL5324709 | 0.75 | TDP1 (0.39) | MAPTLMNAALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106459051-B | Macrocyclic FXIA Inhibitors Containing Heterocyclic Groups | 百时美施贵宝公司 | 2018-10-16 | — | — | CN | disclosed |