Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 9/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4737611 | 0.88 | MAPT (0.46) | ALDH1A1KDM4EMAPTHTTLMNA | |
| SCHEMBL22114301 | 0.77 | MAPT (0.38) | ALDH1A1KDM4EMAPTHTTLMNA | |
| SCHEMBL13676826 | 0.75 | ALDH1A1 (0.32) | ALDH1A1KDM4EMAPTHTTSCN4A | |
| SCHEMBL13488479 | 0.75 | SLC6A2 (0.32) | ALDH1A1KDM4ECYP2D6SLC6A4 | |
| SCHEMBL19795481 | 0.74 | MAOB (0.40) | ALDH1A1KDM4EMAPTHTTLMNA | |
| SCHEMBL22114347 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNAHTR2AGAA | |
| SCHEMBL22541481 | 0.72 | MAPT (0.40) | ALDH1A1KDM4EMAPTHTTSCN4A | |
| SCHEMBL19121898 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP3A4GAAPLA2G7 | |
| SCHEMBL1099372 | 0.71 | ACHE (0.36) | ALDH1A1MAPTCYP3A4CYP2C9 | |
| SCHEMBL15985645 | 0.71 | MAOA (0.39) | ALDH1A1KDM4EMAPTLMNAMAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168798-B2 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | US | disclosed |
| US-7879891-B2 | such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-20070155718-A1 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-05 | — | — | 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 (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-20070155718-A1 | Caspase inhibitor prodrugs | CASP1, CASP5, CASP2 | ALDH1A1 757/4885KDM4E 1340/4885MAPT 1365/4885 |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | CASP1, CASP5, CASP2 | ALDH1A1 757/4885KDM4E 1340/4885MAPT 1365/4885 |
“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.