Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL487177 | 1.00 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10248634 | 1.00 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL87961 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12046888 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6623821 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21320780 | 0.81 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27885874 | 0.79 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15984349 | 0.79 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15984353 | 0.79 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2153662 | 0.77 | CYP2D6 (0.53) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660464-B1 | CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING | LG LIFE SCIENCES LTD (KR) | 2015-02-25 | — | — | EP | disclosed |
| US-8481537-B2 | Caspase inhibitors based of pyridazinone scaffold | LG LIFE SCIENCES LTD. (KR) | 2013-07-09 | — | — | US | disclosed |
| US-8362043-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-29 | — | — | US | disclosed |
| US-8288537-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| CN-1842521-B | Caspase inhibitors containing isoxazoline ring | LG LIFE SCIENCES LTD | 2012-09-05 | — | — | CN | disclosed |
| US-20120165319-A1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-28 | — | — | US | disclosed |
| CN-101506174-B | Caspase inhibitors based on pyridazinone scaffold | LG LIFE SCIENCES LTD | 2012-05-02 | — | — | CN | disclosed |
| US-20120077830-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-29 | — | — | US | disclosed |
| US-8129381-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| EP-1833794-B1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMA (US) | 2012-02-01 | — | — | EP | disclosed |
| US-6153591-A | PROTECTING NERVOUS SYSTEM FOLLOWING FOCAL ISCHEMIA AND GLOBAL ISCHEMIA; ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PRION DISEASES, PARKINSON'S DISEASE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, ALOPACIA, RHEUMATOID ARTHRITIS | CYTOVIA, INC. (US) | 2000-11-28 | — | — | US | disclosed |
| WO-2000061542-A1 | CASPASE INHIBITORS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2000-10-19 | — | — | WO | disclosed |
| WO-2000055114-A1 | SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
| EP-1033910-A1 | DIPEPTIDE APOPTOSIS INHIBITORS AND THE USE THEREOF | Cytovia, Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999047154-A1 | DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF | CYTOVIA, INC. (US) | 1999-09-23 | — | — | WO | disclosed |
| CN-1229412-A | Interleukin-1 beta converting enzyme inhibitors | VERTEX PHARMA (US) | 1999-09-22 | — | — | CN | disclosed |
| WO-1999018781-A1 | DIPEPTIDE APOPTOSIS INHIBITORS AND THE USE THEREOF | CYTOVIA, INC. (US) | 1999-04-22 | — | — | WO | disclosed |
| US-5874424-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | 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 (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-20120077830-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP3, CASP2 | CYP2D6 2164/4885HDAC3 109/4885HDAC1 149/4885 |
| US-20120165319-A1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | IL1A, IFNAR1, IL1B | CYP2D6 2973/4885HDAC3 1734/4885HDAC1 1192/4885 |
“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.