Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 6/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5529184 | 0.89 | RAB9A (0.50) | RAB9ASMN1; SMN2CTSLCTSSCTSK | |
| SCHEMBL5524114 | 0.88 | CTSL (0.56) | SMN1; SMN2CTSLCTSSCTSKLMNA | |
| SCHEMBL6739752 | 0.86 | LMNA (0.53) | NPC1RAB9ACTSLCTSSCTSK | |
| SCHEMBL5529158 | 0.85 | CTSL (0.49) | NPC1RAB9ASMN1; SMN2CTSLCTSS | |
| SCHEMBL5527001 | 0.84 | ESRRG (0.51) | NPC1RAB9ACTSLCTSSCTSK | |
| SCHEMBL5529048 | 0.84 | CTSL (0.52) | SMN1; SMN2CTSLCTSSCTSKLMNA | |
| SCHEMBL5528173 | 0.83 | CTSL (0.42) | NPC1RAB9ASMN1; SMN2CTSLCTSS | |
| SCHEMBL5523613 | 0.83 | CTSL (0.46) | NPC1RAB9ACTSLCTSSCTSK | |
| SCHEMBL5525939 | 0.81 | CTSL (0.54) | CTSLCTSSCTSKCTSB | |
| SCHEMBL5532200 | 0.81 | CTSS (0.61) | NPC1RAB9ASMN1; SMN2CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | US | disclosed |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | US | disclosed |
| EP-1178958-B1 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030096796-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | US | disclosed |
| US-6455502-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-09-24 | — | — | 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 (3 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-20030096796-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885SMN1; SMN2 3462/4885 |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885SMN1; SMN2 3462/4885 |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885SMN1; SMN2 3462/4885 |
“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.