Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 4/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL11940575 | 0.87 | SLC11A2 (0.45) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL13028711 | 0.82 | HPGD (0.40) | HTTLMNASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL11940562 | 0.82 | HTT (0.46) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL11940523 | 0.75 | KDM4E (0.42) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL5594570 | 0.75 | KDM4E (0.68) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL11940522 | 0.72 | KDM4E (0.42) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL10641796 | 0.69 | MAOA (0.57) | KDM4EL3MBTL1HTTNPC1LMNA | |
| SCHEMBL11940581 | 0.68 | HTT (0.42) | KDM4EHTTLMNASMN1; SMN2TP53 | |
| SCHEMBL11940555 | 0.68 | HTT (0.58) | KDM4EHTTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL11940572 | 0.68 | SLC11A2 (0.43) | KDM4EHTTLMNASMN1; SMN2ALDH1A1 |
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-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | 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-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | KDM4E 3359/4885L3MBTL1 4472/4885HTT 2947/4885 |
“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.