Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25359917 | 0.87 | AVPR1A (0.41) | AVPR1AUSP2SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL26058252 | 0.84 | ACACB (0.34) | AVPR1AGPR119NR1H2MKNK1 | |
| SCHEMBL31387347 | 0.84 | ACACB (0.34) | AVPR1AGPR119NR1H2MKNK1 | |
| SCHEMBL26066372 | 0.83 | USP2 (0.39) | AVPR1AUSP2SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL25360337 | 0.82 | SIGMAR1 (0.48) | AVPR1AUSP2SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL1808216 | 0.77 | HDAC1 (0.39) | AVPR1AUSP2SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL26046989 | 0.76 | KCNH2 (0.41) | GPR119KDM4EMAPTTHRB | |
| SCHEMBL1805309 | 0.76 | OPRL1 (0.48) | — | |
| SCHEMBL12701504 | 0.75 | AVPR1A (0.55) | AVPR1AUSP2SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL26046988 | 0.75 | AVPR1A (0.33) | AVPR1ANR1H2NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |