Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 13/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL486979 | 1.00 | ALDH1A1 (0.48) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL8266727 | 0.90 | ALDH1A1 (0.46) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL26623262 | 0.85 | CASP1 (0.46) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL486965 | 0.84 | ELANE (0.43) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL486964 | 0.84 | ELANE (0.43) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL8265652 | 0.83 | ELANE (0.42) | ALDH1A1NPSR1CYP1A2CYP3A4MAPT | |
| SCHEMBL27691483 | 0.82 | NPC1 (0.51) | ALDH1A1NPSR1CASP1HSD17B10PKM | |
| SCHEMBL6803067 | 0.82 | IDO1 (0.44) | ALDH1A1NPSR1MAPTCYP2C9CYP2C19 | |
| SCHEMBL27691482 | 0.82 | NPC1 (0.51) | ALDH1A1NPSR1CASP1HSD17B10PKM | |
| SCHEMBL487439 | 0.80 | CASP1 (0.58) | CASP1 |
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-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 |
| CN-101098855-B | 3- [2- (3-amido-2-oxo-2H-pyridin-1-yl) -acetylamino ] -4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMA | 2012-06-06 | — | — | CN | 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 |
| US-20060160862-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2006-07-20 | — | — | 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 (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 | ALDH1A1 1830/4885NPSR1 3690/4885CYP1A2 632/4885 |
“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.