Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16718867 | 0.92 | LMNA (0.46) | LMNAMETAP1TSHRCHRM1AKR1A1 | |
| SCHEMBL19072756 | 0.92 | LMNA (0.46) | LMNAMETAP1TSHRCHRM1AKR1A1 | |
| SCHEMBL1404786 | 0.88 | LMNA (0.48) | LMNAMETAP1TSHRCHRM1AKR1A1 | |
| SCHEMBL5473438 | 0.88 | METAP1 (0.41) | LMNAMETAP1TSHRCHRM1AKR1A1 | |
| SCHEMBL18365053 | 0.85 | LMNA (0.37) | LMNAMETAP1TDP1 | |
| SCHEMBL20970822 | 0.81 | ALDH1A1 (0.40) | LMNATSHRTDP1CYP3A4FDPS | |
| SCHEMBL20400779 | 0.81 | LMNA (0.39) | LMNAMETAP1 | |
| SCHEMBL20963004 | 0.81 | ALDH1A1 (0.40) | LMNATSHRTDP1CYP3A4FDPS | |
| SCHEMBL22400117 | 0.81 | ALDH1A1 (0.40) | LMNAMETAP1TDP1 | |
| SCHEMBL7621061 | 0.81 | LMNA (0.64) | LMNAMETAP1TSHRCHRM1AKR1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3616101-B1 | MOLECULAR CHARACTERIZATION METHOD AND SYSTEM | ASPENTECH CORP (US) | 2023-09-27 | — | — | EP | disclosed |