Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| N-Methyl Pyrrolidine (Nmp) SCHEMBL28317104 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRMGLLGLAPDK1 | |
| SCHEMBL18599096 | 0.97 | ALDH1A1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL18699317 | 0.94 | ALDH1A1 (0.44) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| SCHEMBL29321049 | 0.94 | ALDH1A1 (0.44) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| SCHEMBL13189560 | 0.94 | — | — | |
| SCHEMBL27480457 | 0.92 | TSHR (0.43) | ALDH1A1TSHRMGLLGLAPDK1 | |
| SCHEMBL15966038 | 0.90 | — | — | |
| Tetrahydrofuran SCHEMBL10757012 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TSHRMGLLGLAPDK1 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL28896352 | 0.88 | TSHR (0.42) | ALDH1A1TSHRMGLL | |
| SCHEMBL14571214 | 0.88 | ALDH1A1 (0.41) | ALDH1A1MGLLPDK1PDK2PDK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |
| US-10548911-B2 | Small molecule anti-scarring agents | UNIVERSITY OF ROCHESTER (US) | 2020-02-04 | — | — | US | disclosed |
| US-20170216332-A1 | SMALL MOLECULE ANTI-SCARRING AGENTS | UNIVERSITY OF ROCHESTER (US) | 2017-08-03 | — | — | 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-20170216332-A1 | SMALL MOLECULE ANTI-SCARRING AGENTS | COLGALT1, MMP1, FIBP | ALDH1A1 970/4885TSHR 4063/4885MGLL 3309/4885 |
| US-10548911-B2 | Small molecule anti-scarring agents | COLGALT1, MMP1, FIBP | ALDH1A1 970/4885TSHR 4063/4885MGLL 3309/4885 |
“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.