Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QRFPR | Q96P65 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 4/20 | 0.48 |
| ▸ | NOS2 | P35228 | 4/20 | 0.48 |
| ▸ | NOS3 | P29474 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5386952 | 1.00 | QRFPR (0.50) | QRFPRNOS1NOS2NOS3CHRM2 | |
| SCHEMBL6600057 | 0.87 | NOS1 (0.56) | QRFPRNOS1NOS2NOS3CHRM2 | |
| SCHEMBL6600053 | 0.87 | NOS1 (0.56) | QRFPRNOS1NOS2NOS3CHRM2 | |
| SCHEMBL5382789 | 0.78 | NOS1 (0.50) | QRFPRNOS1NOS2NOS3 | |
| SCHEMBL5382783 | 0.78 | NOS1 (0.50) | QRFPRNOS1NOS2NOS3 | |
| SCHEMBL5399569 | 0.78 | TACR1 (0.48) | CYP2D6KCNH2 | |
| SCHEMBL5042994 | 0.76 | SLC6A2 (0.53) | KCNH2 | |
| SCHEMBL5386958 | 0.75 | SLC6A2 (0.37) | NOS1NOS2NOS3CHRM2CYP2D6 | |
| SCHEMBL3668795 | 0.72 | SLC6A2 (0.43) | CYP2D6CHRM3KCNH2 | |
| SCHEMBL28392322 | 0.72 | SLC6A2 (0.46) | CYP2D6CHRM3KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285664-B2 | Heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | S.C.R.A.S. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) | 2007-10-23 | — | — | US | disclosed |
| US-20050227991-A1 | New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | IPSEN PHARMA S.A.S. (FR) | 2005-10-13 | — | — | US | disclosed |
| US-6936715-B2 | Lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) | 2005-08-30 | — | — | US | disclosed |
| US-20030105107-A1 | Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | IPSEN PHARMA S.A.S. (FR) | 2003-06-05 | — | — | 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 (2 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-20030105107-A1 | Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | LTC4S, LPO, COASY | QRFPR 4055/4885NOS1 29/4885NOS2 38/4885 |
| US-20050227991-A1 | New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | LPO, LTC4S, BBOX1 | QRFPR 4173/4885NOS1 4/4885NOS2 8/4885 |
“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.