Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14446352 | 0.85 | PTPN5 (0.46) | HDAC8GPR139ALDH1A1GAAMAPT | |
| SCHEMBL17911612 | 0.84 | MTNR1A (0.40) | ALDH1A1GAAHTT | |
| SCHEMBL3155575 | 0.81 | CETP (0.43) | TAS1R3TAS1R1TAS1R2GPR139ALDH1A1 | |
| SCHEMBL3147185 | 0.80 | GPR3 (0.50) | CETPCHRM2CHRM1CHRM3 | |
| SCHEMBL11748337 | 0.79 | PPARG (0.49) | ALDH1A1GAAMAPT | |
| SCHEMBL21831249 | 0.79 | SLC6A4 (0.45) | HDAC8SLC6A4GPR139CETPCHRM2 | |
| SCHEMBL29699129 | 0.79 | SLC6A4 (0.45) | HDAC8SLC6A4GPR139CETPCHRM2 | |
| SCHEMBL8370452 | 0.78 | GPR139 (0.43) | HDAC8GPR139CETPCYP2C9 | |
| SCHEMBL4572866 | 0.77 | MTNR1A (0.50) | ALDH1A1 | |
| SCHEMBL5270292 | 0.77 | KCNH2 (0.47) | ALDH1A1GAAMAPTHPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |