Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824986 | 0.82 | MAPT (0.42) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 | |
| SCHEMBL3908845 | 0.77 | RECQL (0.49) | MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27620339 | 0.73 | MAPT (0.42) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 | |
| SCHEMBL30271787 | 0.72 | F11 (0.43) | — | |
| SCHEMBL29589409 | 0.71 | NOTUM (0.39) | KCNH2 | |
| SCHEMBL28360881 | 0.71 | NOTUM (0.39) | KCNH2 | |
| SCHEMBL29209282 | 0.71 | MEN1 (0.49) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 | |
| SCHEMBL30807786 | 0.71 | MEN1 (0.49) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 | |
| SCHEMBL3912020 | 0.70 | CYP19A1 (0.51) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 | |
| SCHEMBL30271753 | 0.70 | CYP19A1 (0.51) | MAPTMEN1KMT2ASMN1; SMN2CYP19A1 |
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-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 |