Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 8/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5530578 | 0.84 | CTSS (0.68) | OPRM1RENTAS1R3TAS1R1CTSK | |
| SCHEMBL3984169 | 0.82 | PIN1 (0.59) | OPRM1RENTAS1R3TAS1R1CTSK | |
| SCHEMBL5525443 | 0.82 | CTSL (0.55) | CTSKCTSBCTSSCTSL | |
| SCHEMBL5534150 | 0.81 | CTSS (0.56) | CTSKCTSBCTSSCTSL | |
| SCHEMBL5526537 | 0.81 | CTSS (0.53) | RENTAS1R3TAS1R1CTSKCTSB | |
| SCHEMBL5530441 | 0.81 | CTSL (0.69) | CTSKCTSBCTSSCTSL | |
| SCHEMBL5525335 | 0.81 | CTSL (0.69) | CTSKCTSBCTSSCTSL | |
| SCHEMBL7590679 | 0.81 | CTSL (0.45) | CTSKCTSBCTSSCTSLHDAC3 | |
| SCHEMBL7527531 | 0.79 | CTSL (0.46) | CTSKCTSBCTSSCTSL | |
| SCHEMBL7562349 | 0.79 | CTSL (0.54) | CTSKCTSBCTSSCTSL |
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 | OPRM1 2965/4885REN 112/4885TAS1R3 3999/4885 |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | OPRM1 2965/4885REN 112/4885TAS1R3 3999/4885 |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | CTRL, SERPINB1, CPN1 | OPRM1 2965/4885REN 112/4885TAS1R3 3999/4885 |
“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.