Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.35 |
| ▸ | RAB9A | P51151 | 9/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | CASP3 | P42574 | 3/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
| ▸ | RET | P07949 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6894464 | 0.90 | CHEK1 (0.40) | NPC1KDM4ERAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6893177 | 0.83 | PDE2A (0.37) | NPC1KDM4ERAB9ASMN1; SMN2MEN1 | |
| SCHEMBL10237277 | 0.79 | CHEK1 (0.52) | RETCHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893154 | 0.73 | CHEK1 (0.44) | NPC1KDM4ERAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL6894139 | 0.72 | FASN (0.38) | NPC1KDM4ERAB9ASMN1; SMN2MEN1 | |
| SCHEMBL10234363 | 0.69 | CHEK1 (0.43) | NPC1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL6893236 | 0.67 | CHEK1 (0.52) | RETCHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893164 | 0.67 | CHEK1 (0.46) | NPC1KDM4ERAB9ASMN1; SMN2MEN1 | |
| SCHEMBL10234160 | 0.66 | CCNC (0.40) | RETCHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893234 | 0.66 | CHEK1 (0.52) | RETCHEK1CCNA2CDK2CCNA1 |
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-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | 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 (2 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-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | BACE1, BACE2, PSEN1 | NPC1 1172/4885KDM4E 3091/4885RAB9A 2744/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | NPC1 348/4885KDM4E 1448/4885RAB9A 720/4885 |
“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.