Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.73 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.73 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.53 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.53 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL458764 | 0.92 | AKR1C3 (0.64) | AKR1C3AKR1C2PTGS2ACACB | |
| SCHEMBL8372706 | 0.89 | AKR1C3 (0.59) | AKR1C3AKR1C2PTGS2TSHRLMNA | |
| SCHEMBL27513384 | 0.87 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS2TSHRLMNA | |
| SCHEMBL7403967 | 0.86 | GPR88 (0.59) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL8403335 | 0.86 | GPR88 (0.59) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL14599721 | 0.86 | GPR88 (0.59) | AKR1C3AKR1C2PTGS2TSHRLMNA | |
| SCHEMBL24991982 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL20540540 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL11498401 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL7005332 | 0.84 | PTGS2 (1.00) | AKR1C3AKR1C2PTGS2PTGS1ACACB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070014725-A1 | Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy | SCHERING AG (DE) | 2007-01-18 | — | — | US | disclosed |
| US-20070014725-A1 | Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy | SCHERING AG (DE) | 2007-01-18 | — | — | US | disclosed |
| US-7164016-B2 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-16 | — | — | US | disclosed |
| US-7164016-B2 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-16 | — | — | US | disclosed |
| US-20070009442-A1 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-11 | — | — | US | disclosed |
| US-20070009442-A1 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-11 | — | — | US | disclosed |
| US-20060135554-A1 | Novel compounds | ASTRAZENECA AB (SE) | 2006-06-22 | — | — | US | disclosed |
| US-7030139-B2 | Compounds | ASTRAZENECA AB (SE) | 2006-04-18 | — | — | US | disclosed |
| US-20040116465-A1 | Novel compounds | ASTRAZENECA AB (SE) | 2004-06-17 | — | — | US | disclosed |
| EP-1390350-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002085866-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2002-10-31 | — | — | WO | disclosed |
| EP-0706521-A1 | NOVEL IMIDES | CELGENE CORPORATION (US) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995001348-A2 | IMIDES AS INHIBITORS OF TNP ALPHA | CELGENE CORPORATION (US) | 1995-01-12 | — | — | WO | 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-20070014725-A1 | Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy | CA13, CA14, CA12 | AKR1C3 2343/4885AKR1C2 2354/4885PTGS2 3426/4885 |
| US-20060135554-A1 | Novel compounds | OPRL1, OPRK1, TRPV1 | AKR1C3 2045/4885AKR1C2 2149/4885PTGS2 79/4885 |
| US-20070009442-A1 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | CA13, MPI, CA14 | AKR1C3 2440/4885AKR1C2 2666/4885PTGS2 3712/4885 |
“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.