Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | GALR3 | O60755 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 6/20 | 0.51 |
| ▸ | CTSL | P07711 | 6/20 | 0.50 |
| ▸ | CTSS | P25774 | 4/20 | 0.50 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6238487 | 0.85 | ALDH1A1 (1.00) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6236398 | 0.83 | ALDH1A1 (0.94) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL5254507 | 0.76 | ALDH1A1 (0.54) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6266358 | 0.75 | ALDH1A1 (0.96) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6235670 | 0.75 | ALDH1A1 (0.96) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6236443 | 0.75 | NPSR1 (0.60) | ALDH1A1CTSKCTSLCTSSCTSB | |
| SCHEMBL6239326 | 0.74 | CTSK (0.73) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6237865 | 0.72 | CTSK (0.71) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL5255506 | 0.71 | ALDH1A1 (0.54) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL6238836 | 0.71 | KDM4E (0.58) | ALDH1A1MAPK1KDM4EHSD17B10SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | claimed |
| US-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2005-10-06 | — | — | US | claimed |
| EP-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | disclosed |
| US-7125881-B2 | Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2006-10-24 | — | — | US | disclosed |
| US-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2005-10-06 | — | — | US | disclosed |
| EP-1532121-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | disclosed |
| WO-2005011703-A1 | 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES | AKZO NOBEL N.V. (NL) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004000819-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | 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-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | CTSS, CTSZ, CTSE | ALDH1A1 1987/4885MAPK1 3930/4885KDM4E 1105/4885 |
“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.