Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA3 | P07451 | 2/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | DPP4 | P27487 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4548455 | 0.82 | CA12 (0.54) | CA12AKR1B10CA1CA2AKR1B1 | |
| SCHEMBL4946176 | 0.76 | HCAR2 (0.71) | ESR1HCAR2CA12AKR1B10CA1 | |
| SCHEMBL4946181 | 0.76 | HCAR2 (0.71) | ESR1HCAR2CA12AKR1B10CA1 | |
| SCHEMBL13411815 | 0.76 | POLB (0.33) | ALDH1A1SMN1; SMN2MEN1POLBCYP3A4 | |
| SCHEMBL14414911 | 0.76 | TP53 (0.44) | KDM4EALDH1A1NPC1RAB9ATTR | |
| SCHEMBL1749417 | 0.75 | CYP2A6 (0.37) | TYRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL713717 | 0.74 | HCAR2 (0.81) | ESR1HCAR2CA12AKR1B10CA1 | |
| SCHEMBL14081549 | 0.74 | HCAR2 (0.81) | ESR1HCAR2CA12AKR1B10CA1 | |
| SCHEMBL68395 | 0.74 | HCAR2 (0.81) | ESR1HCAR2CA12AKR1B10CA1 | |
| SCHEMBL18662489 | 0.72 | HCAR2 (0.77) | ESR1HCAR2CA12AKR1B10CA1 |
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-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME CORP. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME CORP. (US) | 2012-07-12 | — | — | US | disclosed |
| US-8168649-B2 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | Merk Sharp & Dohme Corp. (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168649-B2 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | Merk Sharp & Dohme Corp. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME LLC | 2010-06-10 | — | — | US | disclosed |
| US-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME LLC | 2010-06-10 | — | — | 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-20100144778-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | HCAR1, HCAR2, GPR119 | ESR1 1026/4885HCAR2 2/4885CA12 4033/4885 |
| US-20120178750-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | HCAR1, HCAR2, FFAR1 | ESR1 1001/4885HCAR2 2/4885CA12 4054/4885 |
“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.