Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL542787 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10HTTKDM4E | |
| SCHEMBL28324640 | 0.84 | HMGB1 (0.45) | ALDH1A1HPGDHSD17B10TSHRCA1 | |
| SCHEMBL13244501 | 0.83 | GABRP (0.47) | ALDH1A1HPGDHSD17B10HTTKDM4E | |
| SCHEMBL1816250 | 0.81 | TSHR (0.42) | ALDH1A1HPGDHSD17B10HTTKDM4E | |
| SCHEMBL12536776 | 0.79 | HMGB1 (0.42) | ALDH1A1HPGDHSD17B10TSHRCA1 | |
| Hydrochloric Acid SCHEMBL6096058 | 0.79 | TSHR (0.41) | ALDH1A1HPGDHSD17B10HTTKDM4E | |
| SCHEMBL1154451 | 0.78 | TSHR (0.59) | ALDH1A1HPGDHSD17B10HTTKDM4E | |
| SCHEMBL9662171 | 0.76 | GAA (0.47) | ALDH1A1HPGDHTTKDM4EMEN1 | |
| SCHEMBL19116226 | 0.76 | KEAP1 (0.46) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL9984008 | 0.76 | TSHR (0.42) | ALDH1A1HPGDHSD17B10HTTKDM4E |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129381-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| US-8071618-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-06 | — | — | US | disclosed |
| US-20100137359-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-03 | — | — | US | disclosed |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-12 | — | — | US | disclosed |
| US-7612091-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-03 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| EP-1581501-A1 | 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2005-10-05 | — | — | EP | disclosed |
| EP-1539701-A1 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040192612-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-09-30 | — | — | US | disclosed |
| WO-2004058718-A1 | 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-07-15 | — | — | WO | disclosed |
| US-20040072850-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-04-15 | — | — | US | disclosed |
| WO-2004002961-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-01-08 | — | — | 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 (4 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-20100137359-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP3, CASP1, CASP5 | ALDH1A1 2935/4885HPGD 3302/4885HSD17B10 691/4885 |
| US-20040072850-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP2 | ALDH1A1 862/4885HPGD 917/4885HSD17B10 816/4885 |
| US-20040192612-A1 | Caspase inhibitors and uses thereof | CASP1, CASP3, CASP5 | ALDH1A1 2450/4885HPGD 3159/4885HSD17B10 951/4885 |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | ALDH1A1 1366/4885HPGD 764/4885HSD17B10 874/4885 |
“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.