Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3077511 | 0.86 | ALDH1A1 (0.62) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL4926322 | 0.82 | KMT2A (0.52) | CA1CA2ALDH1A1KMT2AMEN1 | |
| SCHEMBL22301339 | 0.81 | TSHR (0.41) | CA1CA2ALDH1A1MAPTHTT | |
| SCHEMBL394667 | 0.78 | TSHR (0.57) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL29697071 | 0.78 | TSHR (0.57) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL13617326 | 0.78 | GPR35 (0.59) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL1509253 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1LMNAKMT2A | |
| 3,5-Dinitrosalicylic Acid SCHEMBL28322215 | 0.77 | GPR35 (0.59) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL10709158 | 0.76 | CASP6 (0.55) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| SCHEMBL11072023 | 0.76 | CA1 (0.69) | CA1CA2ALDH1A1LMNAKMT2A |
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-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | 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 (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-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | CA1 520/4885CA2 584/4885ALDH1A1 1604/4885 |
“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.