Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CASR | P41180 | 14/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6182151 | 0.90 | NAMPT (0.44) | NPC1RAB9AALDH1A1 | |
| SCHEMBL6184516 | 0.90 | KDM4E (0.44) | NPC1RAB9ACASREPHX2KDM4E | |
| SCHEMBL6186854 | 0.88 | NPC1 (0.48) | NPC1RAB9ACASREPHX2KDM4E | |
| SCHEMBL6182405 | 0.85 | GAA (0.46) | KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6183907 | 0.83 | FAAH (0.46) | NPC1RAB9AKDM4E | |
| SCHEMBL7434370 | 0.80 | CASR (0.46) | CASREPHX2 | |
| SCHEMBL6876209 | 0.80 | CASR (0.42) | NPC1RAB9ACASRKDM4E | |
| SCHEMBL6186865 | 0.77 | EPHX2 (0.51) | NPC1RAB9AEPHX2KDM4EALDH1A1 | |
| SCHEMBL6182144 | 0.77 | NAMPT (0.46) | NPC1RAB9AALDH1A1 | |
| SCHEMBL6183132 | 0.76 | GAA (0.48) | KDM4EALDH1A1 |
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 | NPC1 545/4885RAB9A 2240/4885CASR 2183/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885CASR 2183/4885 |
“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.