Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | MMP1 | P03956 | 11/20 | 0.56 |
| ▸ | MMP13 | P45452 | 10/20 | 0.56 |
| ▸ | MMP3 | P08254 | 7/20 | 0.56 |
| ▸ | MMP7 | P09237 | 6/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 6/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7140954 | 1.00 | ALDH1A1 (0.60) | ALDH1A1HPGDMMP1MMP13MMP3 | |
| SCHEMBL7141897 | 0.87 | TSHR (0.58) | ALDH1A1HPGDMMP1MMP13MMP3 | |
| SCHEMBL7141901 | 0.87 | TSHR (0.58) | ALDH1A1HPGDMMP1MMP13MMP3 | |
| SCHEMBL7150614 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRHTTPKM | |
| SCHEMBL7150616 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRHTTPKM | |
| SCHEMBL8206200 | 0.83 | CA12 (0.60) | MMP1MMP13MMP3MMP7MMP2 | |
| SCHEMBL7134936 | 0.83 | KMT2A (0.59) | ALDH1A1MMP1MMP13MMP3MMP7 | |
| SCHEMBL7134940 | 0.83 | KMT2A (0.59) | ALDH1A1MMP1MMP13MMP3MMP7 | |
| SCHEMBL7151653 | 0.81 | ECE1 (0.56) | ALDH1A1TSHRHTTPKM | |
| SCHEMBL7151655 | 0.81 | ECE1 (0.56) | ALDH1A1TSHRHTTPKM |
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 149/4885MMP1 48/4885 |
“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.