Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7136756 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL7141209 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTKDM4ENPC1 | |
| SCHEMBL7135707 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL2197305 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL7135709 | 0.79 | MLYCD (0.39) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL7146925 | 0.79 | PRSS1 (0.71) | ALDH1A1HPGDPRSS1TPSAB1ABCB1 | |
| SCHEMBL21069881 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL21070425 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL21070691 | 0.77 | ABCB1 (0.51) | ALDH1A1HPGDMAPTPRSS1TPSAB1 | |
| SCHEMBL21069664 | 0.77 | ABCB1 (0.51) | ALDH1A1HPGDMAPTPRSS1TPSAB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | 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-20020049243-A1 | Pyrrolidine derivatives | PREP, PEPD, DNPEP | ALDH1A1 767/4885HPGD 149/4885MAPT 2428/4885 |
“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.