Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASH1L | Q9NR48 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9654333 | 0.81 | HPGD (0.42) | LMNAALDH1A1GPR84MAPTTSHR | |
| SCHEMBL10252339 | 0.77 | MPO (0.49) | ASH1LHTTGPR84MAPTMPO | |
| SCHEMBL19836840 | 0.73 | DYRK1A (0.55) | SLC6A4AHR | |
| SCHEMBL21623871 | 0.73 | BRPF1 (0.58) | ALDH1A1HTTMAPTTSHRKMT2A | |
| SCHEMBL5266825 | 0.73 | IMPDH2 (0.50) | LMNAALDH1A1MAPTTSHRKDM4E | |
| SCHEMBL19836839 | 0.73 | DYRK1A (0.55) | ALDH1A1TSHRSLC6A4AHRHTR2A | |
| SCHEMBL13259220 | 0.73 | CSNK2A1 (0.43) | ASH1LLMNAALDH1A1HTTGPR84 | |
| SCHEMBL20673991 | 0.69 | ADRB3 (0.44) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL20673987 | 0.69 | KDM4E (0.56) | LMNAALDH1A1HTTMAPTTSHR | |
| SCHEMBL20674190 | 0.69 | KDM4E (0.53) | LMNAALDH1A1HTTMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111163761-A | Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide | 普梭梅根公司 | 2020-05-15 | — | — | CN | disclosed |