Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22309042 | 0.93 | TPMT (0.41) | TPMTCA1CA2PHGDHRXRA | |
| SCHEMBL18790761 | 0.93 | POLB (0.36) | TPMTCA1CA2PHGDHRXRA | |
| SCHEMBL18790764 | 0.86 | POLB (0.38) | TPMTCA1CA2PHGDHRXRA | |
| SCHEMBL11495372 | 0.83 | POLB (0.40) | RXRACYP1A2CYP2D6 | |
| SCHEMBL22309040 | 0.81 | TPMT (0.36) | TPMTCA1CA2PHGDHRXRA | |
| SCHEMBL6204352 | 0.79 | AKR1C1 (0.39) | CYP2C9 | |
| SCHEMBL18790464 | 0.76 | POLB (0.35) | TPMTCA1CA2RXRASLC6A2 | |
| SCHEMBL11486312 | 0.76 | CES2 (0.42) | CA1CA2PHGDHAKR1C3 | |
| SCHEMBL18790832 | 0.76 | ALDH1A1 (0.42) | RXRACYP2D6 | |
| SCHEMBL22309043 | 0.75 | TPMT (0.39) | TPMTCA1CA2PHGDHPTPN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3365318-B1 | BENZYL MONOKETALS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2021-01-06 | — | — | EP | disclosed |
| US-20200247916-A1 | BENZIL MONOKETALS AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2020-08-06 | — | — | US | disclosed |
| WO-2017067634-A1 | BENZIL MONOKETALAND USE THEREOF | MERCK PATENT GMBH (DE) | 2017-04-27 | — | — | 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-20200247916-A1 | BENZIL MONOKETALS AND THE USE THEREOF | BCKDK, PKLR, BPHL | TPMT 867/4885CA1 3127/4885CA2 3368/4885 |
“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.