Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5383934 | 0.87 | MEN1 (0.47) | MEN1KMT2ATDP1 | |
| SCHEMBL6598928 | 0.86 | CALM1 (0.44) | CALM1PTPN1NOS2CYP19A1MET | |
| SCHEMBL4398439 | 0.81 | NOS3 (0.40) | NOS2MEN1KMT2ATDP1 | |
| SCHEMBL4398437 | 0.81 | NOS3 (0.40) | NOS2MEN1KMT2ATDP1 | |
| SCHEMBL16682328 | 0.79 | ADRB3 (0.44) | ADRB3 | |
| SCHEMBL18067949 | 0.78 | ADRB3 (0.46) | CYP19A1ADRB3SIGMAR1 | |
| SCHEMBL18067948 | 0.77 | ADRB3 (0.42) | ADRB3 | |
| SCHEMBL18067959 | 0.76 | ADRB3 (0.45) | CYP19A1ADRB3SIGMAR1 | |
| SCHEMBL16468257 | 0.75 | LPAR1 (0.47) | TSHRMEN1KMT2ATDP1 | |
| SCHEMBL2595460 | 0.75 | HDAC1 (0.51) | — |
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 6 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-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 |
| 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 (3 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 | CALM1 917/4885PTPN1 632/4885NOS2 2/4885 |
| US-20030105107-A1 | Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | LTC4S, LPO, COASY | CALM1 954/4885PTPN1 1359/4885NOS2 38/4885 |
| US-20050227991-A1 | New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | LPO, LTC4S, BBOX1 | CALM1 1384/4885PTPN1 2163/4885NOS2 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.