Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 5/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5257148 | 0.79 | NPC1 (0.49) | NPC1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL5253990 | 0.78 | NPC1 (0.43) | NPC1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL5254462 | 0.77 | CTSK (0.46) | EGFRERBB3 | |
| SCHEMBL5252400 | 0.76 | GALR2 (0.47) | NPC1RAB9ATP53CNR1CNR2 | |
| SCHEMBL5255441 | 0.73 | PIK3CA (0.57) | MAPTKDM4ELMNA | |
| SCHEMBL5253071 | 0.73 | CTSK (0.51) | — | |
| SCHEMBL31484161 | 0.72 | NPC1 (0.45) | NPC1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL5253333 | 0.72 | KCNH2 (0.46) | NPC1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL5253588 | 0.70 | AURKA (0.43) | MAPTCNR1CNR2LMNA | |
| SCHEMBL5255238 | 0.70 | GALR1 (0.47) | NPC1CNR1CNR2KDM4ELMNA |
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 5 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 | 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-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 | NPC1 1092/4885CYP1A2 1001/4885CYP3A4 2282/4885 |
“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.