Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22344147 | 0.96 | ALDH1A1 (0.41) | ALDH1A1HTTKMT2ACNR1MEN1 | |
| SCHEMBL20312651 | 0.96 | ALDH1A1 (0.47) | ALDH1A1HTTKMT2AMEN1KDM1A | |
| SCHEMBL20312667 | 0.94 | ALDH1A1 (0.40) | ALDH1A1HTTKMT2ACNR1MEN1 | |
| SCHEMBL20312681 | 0.94 | ALDH1A1 (0.42) | ALDH1A1HTTKMT2ACNR1MEN1 | |
| SCHEMBL20312684 | 0.92 | KMT2A (0.47) | ALDH1A1KMT2ACNR1MEN1KDM1A | |
| SCHEMBL20312544 | 0.92 | KMT2A (0.50) | ALDH1A1HTTKMT2AMEN1KDM1A | |
| SCHEMBL22344174 | 0.92 | NSD2 (0.42) | ALDH1A1HTTKMT2ACNR1MEN1 | |
| SCHEMBL22344168 | 0.91 | KMT2A (0.42) | ALDH1A1HTTKMT2ACNR1MEN1 | |
| SCHEMBL20302759 | 0.91 | ALDH1A1 (0.42) | ALDH1A1HTTKMT2AMEN1NAMPT | |
| SCHEMBL20312680 | 0.90 | KMT2A (0.41) | ALDH1A1HTTKMT2ACNR1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200261421-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-08-20 | — | — | 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-20200261421-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | PREP, SERPINB1, PEPD | ALDH1A1 1467/4885HTT 2973/4885KMT2A 2246/4885 |
“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.