Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 10/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10325779 | 1.00 | CYP1A2 (0.50) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL3315286 | 0.98 | CYP1A2 (0.46) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL26502537 | 0.87 | DRD2 (0.40) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL10324952 | 0.86 | CYP1A2 (0.58) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL4370598 | 0.85 | SIGMAR1 (0.48) | CYP1A2SIGMAR1BCHEACHE | |
| SCHEMBL644854 | 0.85 | SIGMAR1 (0.62) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL10325042 | 0.84 | CYP1A2 (0.54) | CYP1A2SIGMAR1BCHEKMT2AACHE | |
| SCHEMBL10324987 | 0.84 | CYP1A2 (0.54) | CYP1A2SIGMAR1BCHEACHEDRD3 | |
| SCHEMBL8711529 | 0.83 | SIGMAR1 (0.66) | CYP1A2SIGMAR1BCHEKMT2ACHRM2 | |
| SCHEMBL8855135 | 0.83 | SIGMAR1 (0.66) | CYP1A2SIGMAR1BCHEKMT2ACHRM2 |
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-105392788-B | Substituted bridging urea analog as Sirtuin conditioning agent | 葛兰素史密斯克莱有限责任公司 | 2018-10-23 | — | — | CN | disclosed |