Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16507220 | 0.86 | PTPN1 (0.42) | CYP2C19CYP1A2PTPN1SMN1; SMN2CYP3A4 | |
| SCHEMBL27926958 | 0.81 | ALDH1A1 (0.64) | ALDH1A1ADRA2BPTGS1TDP1CYP2C19 | |
| SCHEMBL9082172 | 0.81 | PTPN1 (0.39) | ALDH1A1TDP1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL11204587 | 0.80 | ALDH1A1 (0.63) | ALDH1A1ADRA2BPTGS1TDP1CYP2C19 | |
| SCHEMBL29493419 | 0.79 | PTPN1 (0.49) | ALDH1A1TDP1CYP2C19CYP1A2PTPN1 | |
| SCHEMBL19617278 | 0.79 | PTPN1 (0.49) | ALDH1A1TDP1CYP2C19CYP1A2PTPN1 | |
| SCHEMBL28111956 | 0.79 | TSHR (0.48) | ALDH1A1ADRA2BPTGS1TDP1CYP2C19 | |
| SCHEMBL562014 | 0.78 | ALDH1A1 (0.60) | ALDH1A1ADRA2BPTGS1TDP1NSD2 | |
| SCHEMBL29617909 | 0.78 | PTPN1 (0.42) | ALDH1A1ADRA2BPTGS1TDP1CYP2C19 | |
| SCHEMBL24596979 | 0.78 | ALDH1A1 (0.41) | ALDH1A1ADRA2BPTGS1TDP1CYP2C19 |
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-9382253-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-07-05 | — | — | US | disclosed |
| US-9382253-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-07-05 | — | — | US | disclosed |
| US-9382253-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-07-05 | — | — | US | disclosed |
| US-20130112921-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| US-20130112921-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | 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 3236/4885ADRA2B 4650/4885PTGS1 2940/4885 |
“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.