Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.66 |
| ▸ | MDM4 | O15151 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | TTK | P33981 | 1/20 | 0.52 |
| ▸ | ITK | Q08881 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3912747 | 0.85 | PARP1 (0.68) | PARP1HDAC1HPGDGSK3AGSK3B | |
| SCHEMBL4151799 | 0.85 | PARP1 (0.51) | PARP1TP53GSK3AGSK3BMAPT | |
| SCHEMBL29623640 | 0.84 | KCNMA1 (0.55) | PARP1GSK3AGSK3BNPC1RAB9A | |
| SCHEMBL16794593 | 0.82 | NAPRT (0.52) | PARP1AURKAAURKBINCENPGSK3A | |
| SCHEMBL7775777 | 0.82 | NPC1 (0.61) | GSK3AGSK3BNPC1RAB9AMEN1 | |
| SCHEMBL3431388 | 0.80 | GAA (0.47) | PARP1POLBAURKAAURKBINCENP | |
| SCHEMBL1110180 | 0.79 | MDM4 (0.73) | MDM4TP53HDAC3MAPK1HDAC1 | |
| SCHEMBL11643561 | 0.78 | LMNA (0.55) | PARP1NPC1RAB9AMAPTTDP1 | |
| SCHEMBL19509669 | 0.77 | HDAC3 (0.66) | PARP1MDM4TP53HDAC3MAPK1 | |
| SCHEMBL6826283 | 0.77 | ALDH1A1 (0.50) | MAPK1POLBHPGDAURKBGSK3A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| CN-101098855-A | 3- [2- (3-amido-2-oxo-2H-pyridin-1-yl) -acetylamino ] -4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMA (US) | 2008-01-02 | — | — | CN | disclosed |
| EP-1833794-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2007-09-19 | — | — | EP | disclosed |
| US-20060160862-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2006-07-20 | — | — | US | disclosed |
| WO-2006057961-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | 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 (1 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-20060160862-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | PARP1 102/4885MDM4 4094/4885TP53 464/4885 |
“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.