Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.70 |
| ▸ | MAPT | P10636 | 10/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | THRB | P10828 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14324139 | 0.87 | LMNA (0.57) | LMNAMAPTTP53KDM4EALDH1A1 | |
| SCHEMBL14322593 | 0.86 | LMNA (0.53) | LMNAMAPTTP53THRBGAA | |
| SCHEMBL27383530 | 0.84 | MAPT (0.65) | LMNAMAPTTP53PTGER3POLB | |
| SCHEMBL14322408 | 0.81 | HDAC8 (0.51) | LMNAMAPTTP53KDM4EALDH1A1 | |
| SCHEMBL16199217 | 0.81 | HDAC8 (0.58) | LMNAMAPTTP53THRBGAA | |
| SCHEMBL27383538 | 0.81 | LMNA (0.58) | LMNAMAPTTP53THRBGAA | |
| SCHEMBL27383553 | 0.80 | MAPT (0.58) | LMNAMAPTTHRBGAAKDM4E | |
| SCHEMBL19513364 | 0.80 | MAPT (0.70) | LMNAMAPTTP53THRBGAA | |
| SCHEMBL12598859 | 0.78 | EGLN1 (0.73) | LMNAMAPTTP53THRBGAA | |
| SCHEMBL27383799 | 0.77 | LMNA (0.51) | LMNAMAPTTP53THRBGAA |
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-8871728-B2 | Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-10-28 | — | — | US | disclosed |