Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3296353 | 0.88 | PYCR1 (0.51) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6679985 | 0.86 | CYP2D6 (0.51) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16107703 | 0.84 | CYP2D6 (0.49) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL399471 | 0.84 | CYP2D6 (0.49) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6674347 | 0.83 | CYP1A2 (0.54) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6978108 | 0.82 | CYP2D6 (0.62) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL15498167 | 0.81 | CYP1A2 (0.49) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30270586 | 0.81 | CYP1A2 (0.52) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3127049 | 0.81 | ALDH1A1 (0.56) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16706160 | 0.81 | PYCR1 (0.55) | PYCR1CYP2D6CYP2C9CYP2C19CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6887891-B2 | Derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2005-05-03 | — | — | US | disclosed |
| US-20040019084-A1 | New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S) | 2004-01-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040019084-A1 | New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them | NOS1, NOS2, LPO | PYCR1 48/4885CYP2D6 621/4885CYP2C9 316/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.