Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 6/20 | 0.40 |
| ▸ | DRD1 | P21728 | 5/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709054 | 0.89 | SLC22A3 (0.48) | ADRB2DRD2DRD3DRD1ADRB1 | |
| SCHEMBL21709076 | 0.83 | ADRB2 (0.52) | ADRB2DRD2DRD3DRD1ADRB1 | |
| SCHEMBL21709067 | 0.82 | KDM1A (0.34) | KDM1ALMNAMAOAMAOBTSHR | |
| SCHEMBL21708896 | 0.80 | NFKB1 (0.49) | ADRB2DRD2DRD3DRD1ADRB1 | |
| SCHEMBL21709164 | 0.79 | KDM1A (0.35) | KDM1AADRB2DRD2DRD3DRD1 | |
| SCHEMBL21709145 | 0.79 | KDM1A (0.35) | KDM1ALMNAMAOAMAOB | |
| SCHEMBL21708904 | 0.77 | KDM1A (0.37) | KDM1AMAOAMAOB | |
| SCHEMBL21708856 | 0.75 | ADRB2 (0.63) | ADRB2DRD2DRD3DRD1ADRB1 | |
| SCHEMBL21709065 | 0.74 | MAOA (0.40) | KDM1AADRB2DRD2DRD3DRD1 | |
| SCHEMBL16774308 | 0.71 | PPARG (0.51) | DRD2HIF1AMAOAMAOBNPSR1 |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |