Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8005742 | 0.88 | NPSR1 (0.46) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL24047741 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL9380090 | 0.80 | SMN1; SMN2 (0.43) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL9380087 | 0.80 | SMN1; SMN2 (0.43) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL22886614 | 0.78 | SMN1; SMN2 (0.43) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL18339767 | 0.76 | MAPT (0.49) | SMN1; SMN2CES2CES1KDM4EALDH1A1 | |
| SCHEMBL1067165 | 0.76 | SMN1; SMN2 (0.43) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL1067166 | 0.76 | SMN1; SMN2 (0.43) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL25674225 | 0.75 | SMN1; SMN2 (0.40) | SMN1; SMN2NLRP3CA12CA1CA2 | |
| SCHEMBL17169101 | 0.74 | KDM4E (0.49) | SMN1; SMN2CES2CES1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541427-B2 | Phenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | Merck, Sharp & Dohme, Corp. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20110110957-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | 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 (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-20110110957-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, PSEN1, APP | SMN1; SMN2 114/4885NLRP3 342/4885CA12 4717/4885 |
“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.