Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13007935 | 1.00 | CYP19A1 (0.52) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL8466741 | 0.92 | CYP19A1 (0.53) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL433716 | 0.91 | ESR2 (0.51) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL10711643 | 0.85 | CA12 (0.51) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL3701322 | 0.84 | HTT (0.51) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL3699507 | 0.84 | HTT (0.51) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL3713440 | 0.84 | HTT (0.51) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL4003420 | 0.83 | CA12 (0.59) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL24293935 | 0.81 | ESR2 (0.42) | CYP19A1ESR2CA12CA1CA2 | |
| SCHEMBL15253761 | 0.81 | ESR2 (0.43) | ESR2LMNAFDFT1SMN1; SMN2MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9487494-B2 | Cyclic hydrocarbon compounds for the treatment of diseases | LEO PHARMA A/S (DK) | 2016-11-08 | — | — | US | disclosed |
| US-20100317582-A1 | NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-12-16 | — | — | US | disclosed |
| EP-2234961-A2 | NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009065406-A2 | NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| EP-0940387-B1 | PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME | MITSUBISHI PHARMA CORP (JP) | 2003-05-07 | — | — | EP | disclosed |
| US-6069176-A | PHENYLETHANOLAMINE COMPOUNDS WITH A BETA-3 ADRENERGIC RECEPTOR STIMULATING EFFECT, USE AS A THERAPY FOR URINARY INCONTINENCE | MITSUBISHI-TOKYO PHARMACEUTICALS, INC. (JP) | 2000-05-30 | — | — | US | disclosed |
| EP-0940387-A1 | PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME | TOKYO TANABE COMPANY LIMITED (JP) | 1999-09-08 | — | — | EP | 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-20100317582-A1 | NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES | ARNT, AHR, CYP27A1 | CYP19A1 87/4885ESR2 183/4885CA12 2815/4885 |
“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.