Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8758599 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL447854 | 0.93 | ALDH1A1 (0.68) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL15056 | 0.93 | ALDH1A1 (0.68) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL2997715 | 0.93 | ALDH1A1 (0.68) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL8758080 | 0.93 | ALDH1A1 (0.68) | ALDH1A1TSHRHDAC2TP53CA1 | |
| Fluoride SCHEMBL9324614 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL16180699 | 0.90 | ALDH1A1 (0.65) | ALDH1A1TSHRHDAC2TP53PTGS2 | |
| SCHEMBL1056804 | 0.88 | ALDH1A1 (0.55) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL594542 | 0.88 | ALDH1A1 (0.55) | ALDH1A1TSHRHDAC2TP53CA1 | |
| SCHEMBL31298969 | 0.87 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC2TP53PTGS2 |
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-9478762-B2 | Organic electroluminescent device | MERCK PATENT GMBH (DE) | 2016-10-25 | — | — | US | disclosed |
| US-9382253-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-07-05 | — | — | US | disclosed |
| US-9236571-B2 | Polymer materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20130277617-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2013-10-24 | — | — | US | disclosed |
| US-20130187096-A1 | POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2013-07-25 | — | — | US | disclosed |
| US-20130112921-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| WO-2012007087-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | 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-20130112921-A1 | METAL COMPLEXES | MCOLN2, MCOLN1, NCLN | ALDH1A1 3236/4885TSHR 4843/4885HDAC2 2065/4885 |
“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.