Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL3492346 | 0.74 | NPC1 (0.37) | ALDH1A1 | |
| SCHEMBL4866991 | 0.72 | HPGDS (0.38) | CES1 | |
| SCHEMBL4433780 | 0.72 | SRD5A2 (0.45) | ALDH1A1 | |
| SCHEMBL230546 | 0.70 | CTRB1 (0.36) | CES1 | |
| SCHEMBL2269217 | 0.69 | HTT (0.41) | ALDH1A1 | |
| SCHEMBL746094 | 0.68 | CTRB1 (0.35) | — | |
| SCHEMBL287420 | 0.68 | ALDH1A1 (0.74) | PTPN1CES1ALDH1A1HDAC1HDAC8 | |
| SCHEMBL4258317 | 0.66 | CTRB1 (0.33) | CES1 | |
| SCHEMBL2866244 | 0.66 | HDAC1 (0.71) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL1698739 | 0.65 | AKR1B1 (0.46) | CES1 |
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-1161415-B1 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6593327-B2 | N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates | AXYS PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-06-26 | — | — | US | disclosed |
| US-6476026-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | US | 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 (2 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-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | PTPN1 1580/4885CES1 237/4885ALDH1A1 4049/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | PTPN1 1580/4885CES1 237/4885ALDH1A1 4049/4885 |
“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.