Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | ERN1 | O75460 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744170 | 0.86 | PTGS1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21838886 | 0.83 | EGFR (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26115204 | 0.83 | EGFR (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2945243 | 0.83 | PTGS1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL497983 | 0.83 | HSD17B1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13864591 | 0.82 | HSD17B1 (0.68) | ESR1ESR2PTGS1CYP3A4CYP2C9 | |
| SCHEMBL497995 | 0.81 | HSD17B1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL498322 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL497989 | 0.81 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26682973 | 0.81 | AKR1C3 (0.54) | CA12CA1CA2CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106077-B2 | Compounds and methods for modulating FXR | ELI LILLY AND COMPANY (US) | 2012-01-31 | — | — | US | disclosed |
| EP-2029558-B1 | COMPOUNDS AND METHODS FOR MODULATING FXR | LILLY CO ELI (US) | 2010-03-10 | — | — | EP | disclosed |
| US-20090093524-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT | 2009-04-09 | — | — | US | disclosed |
| EP-2029558-A2 | COMPOUNDS AND METHODS FOR MODULATING FXR | ELI LILLY AND COMPANY (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007140174-A2 | COMPOUNDS AND METHODS FOR MODULATING FXR | ELI LILLY AND COMPANY (US) | 2007-12-06 | — | — | 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 (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-20090093524-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NR1H4, SLC10A1, FXR1 | CA12 4104/4885CA1 3660/4885CA2 3228/4885 |
“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.