Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2838656 | 0.86 | ALDH1A1 (0.39) | NPSR1GRM5ALDH1A1LMNATSHR | |
| SCHEMBL3012799 | 0.86 | HTR2C (0.49) | NPSR1GRM5ALDH1A1LMNATSHR | |
| SCHEMBL3012801 | 0.83 | ALDH1A1 (0.34) | NPSR1GRM5ALDH1A1LMNATSHR | |
| SCHEMBL2836798 | 0.82 | MEN1 (0.39) | NPSR1ALDH1A1LMNATSHRPOLB | |
| SCHEMBL2838922 | 0.80 | ALDH1A1 (0.43) | NPSR1ALDH1A1LMNATSHRPOLB | |
| SCHEMBL18093107 | 0.77 | CA1 (0.41) | NPSR1ALDH1A1LMNAPOLBGAA | |
| SCHEMBL3012796 | 0.75 | RIPK1 (0.38) | ALDH1A1MAPK1 | |
| SCHEMBL2840465 | 0.73 | GAA (0.53) | ALDH1A1LMNATSHRMAPK1HTT | |
| SCHEMBL2833994 | 0.73 | HTR2C (0.52) | ALDH1A1LMNASLC16A3SLC16A1CNR1 | |
| SCHEMBL19181130 | 0.68 | BCL2 (0.43) | NPSR1ALDH1A1TSHRKMT2AHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| EP-2196459-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-06-16 | — | — | EP | disclosed |