Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 6/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TPH1 | P17752 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14727023 | 1.00 | CXCR2 (0.39) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL14721510 | 1.00 | CXCR2 (0.39) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL30181751 | 0.87 | TDP1 (0.41) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL1138191 | 0.76 | L3MBTL1 (0.48) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL29302286 | 0.76 | CXCR2 (0.45) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL31658589 | 0.76 | CXCR2 (0.45) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL12035557 | 0.75 | CA1 (0.40) | CXCR2CA1CA2CA9CA12 | |
| SCHEMBL22654459 | 0.74 | CXCR2 (0.36) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL21236161 | 0.74 | CXCR2 (0.36) | CXCR2MAP3K5CA1CA2CA9 | |
| SCHEMBL21236532 | 0.74 | CA1 (0.41) | CXCR2MAP3K5CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2748151-B1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-16 | — | — | EP | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| WO-2013028590-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | 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-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | PDE12, PDE10A, PDE11A | CXCR2 1696/4885MAP3K5 1151/4885CA1 4464/4885 |
“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.