Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13002653 | 0.84 | NPSR1 (0.53) | NPSR1KDM4EMAPTHPGDPOLB | |
| Hydrochloric Acid SCHEMBL10002647 | 0.80 | MAPT (0.53) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL25805519 | 0.80 | POLB (0.41) | KDM4EMAPTHPGDPOLBALDH1A1 | |
| SCHEMBL17518791 | 0.78 | KDM4E (0.51) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL13483956 | 0.76 | NPSR1 (0.54) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL30341846 | 0.76 | KDM4E (0.48) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL4025172 | 0.76 | KDM4E (0.48) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL171627 | 0.76 | KDM4E (0.60) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL10233667 | 0.75 | NPSR1 (0.53) | NPSR1KDM4EMAPTHPGDPOLB | |
| SCHEMBL5681855 | 0.74 | NPSR1 (0.59) | NPSR1KDM4EMAPTHPGDPOLB |
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-9809545-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |