Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30504112 | 0.82 | MAOA (0.41) | LMNACYP1A2CYP2D6MAOAMAOB | |
| SCHEMBL19366232 | 0.78 | HDAC4 (0.50) | CYP11B2MAOAMAOBHDAC4MEN1 | |
| SCHEMBL30311870 | 0.77 | MAOA (0.41) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL30312236 | 0.77 | MAOA (0.41) | MAOAMAOBHDAC4MEN1POLB | |
| SCHEMBL30312066 | 0.77 | MAOA (0.41) | MAOAMAOBHDAC4MEN1POLB | |
| SCHEMBL8435497 | 0.71 | MAOA (0.41) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL21208288 | 0.70 | MAOA (0.35) | SLC6A2SLC6A3ADRA1AMAOAMAOB | |
| SCHEMBL16795929 | 0.68 | MEN1 (0.35) | SLC6A2SLC6A4SLC6A3CYP3A4LMNA | |
| SCHEMBL25332884 | 0.68 | MAOA (0.34) | MAOAMAOBHDAC4POLB | |
| SCHEMBL21399752 | 0.68 | POLB (0.39) | MAOAMAOBPOLBKDM1A |
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-9765054-B2 | Histone deacetylase inhibitors and compositions and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2017-09-19 | — | — | US | disclosed |