Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | CTSL | P07711 | 3/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | YAP1 | P46937 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20522431 | 0.90 | KYNU (0.54) | MEN1KMT2ACTSKCTSLCTSB | |
| SCHEMBL20522430 | 0.90 | KYNU (0.54) | MEN1KMT2ACTSKCTSLCTSB | |
| SCHEMBL18822510 | 0.89 | YAP1 (0.62) | SMN1; SMN2NPC1RAB9AHTTYAP1 | |
| SCHEMBL12249924 | 0.89 | YAP1 (0.62) | SMN1; SMN2NPC1RAB9AHTTYAP1 | |
| SCHEMBL29968272 | 0.87 | YAP1 (0.57) | SMN1; SMN2NPC1RAB9AKMT2ACTSL | |
| SCHEMBL29189817 | 0.87 | YAP1 (0.57) | SMN1; SMN2NPC1RAB9AKMT2ACTSL | |
| SCHEMBL30764688 | 0.87 | CTSK (0.59) | SMN1; SMN2MEN1KMT2ACTSKCTSL | |
| SCHEMBL7469120 | 0.87 | CTSK (0.59) | SMN1; SMN2MEN1KMT2ACTSKCTSL | |
| Ether SCHEMBL29144591 | 0.86 | CTSK (0.54) | MEN1KMT2ACTSKCTSLCTSB | |
| SCHEMBL18822512 | 0.85 | BCHE (0.51) | BCHEACHECACNA1FCACNA1DCACNA1S |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6936606-B2 | Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-08-30 | — | — | US | disclosed |
| EP-1434769-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-07-07 | — | — | EP | disclosed |
| US-20040063679-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. | 2004-04-01 | — | — | US | disclosed |
| WO-2003029200-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | 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-20040063679-A1 | Compounds useful as reversible inhibitors of cysteine proteases | CTSS, CTSK, CTSB | SMN1; SMN2 4664/4885NPC1 1264/4885RAB9A 151/4885 |
“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.