Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | THRA | P10827 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724671 | 0.95 | PDE4B (0.44) | PDE4BKDM4EALDH1A1THRATHRB | |
| SCHEMBL3720755 | 0.90 | PDE4B (0.46) | PDE4BALDH1A1THRAMEN1KMT2A | |
| SCHEMBL3724295 | 0.84 | PDE4B (0.46) | PDE4BALDH1A1MCHR1THRBGAA | |
| SCHEMBL3724232 | 0.83 | PDE4B (0.46) | PDE4BALDH1A1MCHR1GAAMAPT | |
| SCHEMBL3718228 | 0.82 | ACACB (0.42) | KDM4EALDH1A1DRD3ADRA2AADRA2B | |
| SCHEMBL3718230 | 0.82 | MTNR1A (0.48) | KDM4EALDH1A1DRD3DRD2HRH3 | |
| SCHEMBL3721868 | 0.82 | PDE4B (0.48) | PDE4BALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL3726793 | 0.82 | ADRB2 (0.40) | KDM4EALDH1A1TDP1DRD3DRD2 | |
| SCHEMBL3721926 | 0.81 | PDE4B (0.44) | PDE4BMCHR1 | |
| SCHEMBL3719225 | 0.80 | PDE4B (0.46) | PDE4BALDH1A1MEN1KMT2AGAA |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |