Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9382586 | 0.86 | SMN1; SMN2 (0.41) | CYP3A4CYP2C9CYP2C19TDP1SLC7A5 | |
| SCHEMBL642839 | 0.86 | SMN1; SMN2 (0.41) | CYP3A4CYP2C9CYP2C19TDP1SLC7A5 | |
| SCHEMBL28276942 | 0.85 | CTSB (0.37) | KDM4ESLC7A5MEN1KMT2ANPC1 | |
| SCHEMBL5229823 | 0.85 | CTSB (0.37) | KDM4ESLC7A5MEN1KMT2ANPC1 | |
| SCHEMBL6207126 | 0.85 | HDAC1 (0.39) | SLC7A5MEN1KMT2AALDH1A1 | |
| SCHEMBL8758891 | 0.82 | ALDH1A1 (0.42) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7720053 | 0.82 | ALDH1A1 (0.42) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL5277142 | 0.81 | SLC7A5 (0.39) | SLC7A5 | |
| SCHEMBL1325515 | 0.80 | MEN1 (0.43) | KDM4EMAPTTDP1MEN1KMT2A | |
| SCHEMBL995191 | 0.80 | MEN1 (0.43) | KDM4EMAPTTDP1MEN1KMT2A |
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-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 | CYP3A4 1011/4885CYP2C9 896/4885CYP2C19 1072/4885 |
“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.