Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6218639 | 1.00 | NPC1 (0.36) | NPC1RAB9AL3MBTL1CYP3A4MAPT | |
| SCHEMBL6213799 | 0.77 | CYP3A4 (0.39) | CYP3A4MAPTHSD17B10TSHRALDH1A1 | |
| SCHEMBL6216759 | 0.76 | SLC7A5 (0.41) | NPC1RAB9ACYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL6216755 | 0.76 | SLC7A5 (0.41) | NPC1RAB9ACYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL6216743 | 0.75 | CYP3A4 (0.34) | CYP3A4MAPTHSD17B10TSHRALDH1A1 | |
| SCHEMBL6216697 | 0.73 | CYP3A4 (0.37) | L3MBTL1CYP3A4MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL17513682 | 0.72 | CYP3A4 (0.58) | CYP3A4MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL6215267 | 0.72 | CYP3A4 (0.47) | NPC1RAB9AL3MBTL1CYP3A4MAPT | |
| SCHEMBL4677464 | 0.72 | CYP3A4 (0.47) | NPC1RAB9AL3MBTL1CYP3A4MAPT | |
| SCHEMBL28365597 | 0.67 | CYP3A4 (0.51) | NPC1RAB9ACYP3A4MAPTPOLB |
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-1283825-B1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | NOVARTIS AG (CH) | 2005-09-14 | — | — | EP | disclosed |
| US-6812237-B2 | (ARYLAMINOACEAMIDO)ACETONITRILE DERIVATIVES | NOVARTIS AG (CH) | 2004-11-02 | — | — | US | disclosed |
| US-20030158256-A1 | N-substituted peptidyl nitriles as cysteine cathepsin inhibitors | NOVARTIS AG (CH) | 2003-08-21 | — | — | US | disclosed |
| EP-1283825-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | Novartis AG (CH) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087828-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | NOVARTIS AG (CH) | 2001-11-22 | — | — | 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-20030158256-A1 | N-substituted peptidyl nitriles as cysteine cathepsin inhibitors | CTSS, CTSV, CTSF | NPC1 123/4885RAB9A 1299/4885L3MBTL1 1124/4885 |
“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.