Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13405434 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL8063970 | 0.86 | CA1 (0.43) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL3623902 | 0.85 | SLC1A3 (0.54) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL13405436 | 0.84 | SMN1; SMN2 (0.41) | ALDH1A1KMT2ACA1CA2GAA | |
| SCHEMBL8066200 | 0.84 | SMN1; SMN2 (0.41) | ALDH1A1KMT2ACA1CA2GAA | |
| SCHEMBL13405184 | 0.83 | MMP2 (0.46) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL12649370 | 0.80 | GAA (0.50) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL3611768 | 0.80 | SMN1; SMN2 (0.46) | ALDH1A1KMT2ACA1CA2GAA | |
| SCHEMBL8088247 | 0.80 | SMN1; SMN2 (0.46) | ALDH1A1KMT2ACA1CA2GAA | |
| SCHEMBL8062219 | 0.80 | NPSR1 (0.49) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20100093811-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-04-15 | — | — | US | disclosed |
| WO-2009042093-A1 | HIV PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009042094-A2 | HIV PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2009-04-02 | — | — | 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 (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-20100093811-A1 | HIV PROTEASE INHIBITORS | PRSS1, FURIN, SERPINB1 | ALDH1A1 2795/4885SLC1A3 4146/4885SLC1A2 4486/4885 |
“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.