Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 14/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27763782 | 0.79 | ATM (0.51) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL205462 | 0.79 | MPO (0.60) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL2371342 | 0.79 | MPO (0.60) | MPOATM | |
| SCHEMBL18073164 | 0.79 | MPO (0.91) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL13030180 | 0.77 | MPO (0.65) | MPOATMPOLB | |
| SCHEMBL5763004 | 0.76 | MPO (0.46) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL20132949 | 0.76 | MPO (0.61) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL25153638 | 0.74 | MPO (0.45) | MPOATMKDM4EALDH1A1NPC1 | |
| SCHEMBL11812180 | 0.74 | ILK (0.48) | MPOATMHPGDKDM4EALDH1A1 | |
| SCHEMBL2272687 | 0.74 | MPO (0.45) | MPOATMHPGDKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-105980384-A | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2016-09-28 | — | — | CN | disclosed |