Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.44 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24118311 | 0.92 | ALDH1A1 (0.46) | ALDH1A1POLBIDO1HDAC1MEN1 | |
| SCHEMBL24118073 | 0.92 | ALDH1A1 (0.46) | ALDH1A1POLBIDO1HDAC1MEN1 | |
| SCHEMBL24117949 | 0.91 | IDO1 (0.53) | ALDH1A1POLBKCNQ3KCNQ2KCNE1 | |
| SCHEMBL24117930 | 0.90 | CYP1A2 (0.49) | ALDH1A1POLBIDO1MEN1KMT2A | |
| SCHEMBL24118064 | 0.88 | IDO1 (0.46) | ALDH1A1POLBKCNQ3KCNQ2KCNE1 | |
| SCHEMBL24118386 | 0.88 | MEN1 (0.42) | ALDH1A1POLBIDO1HDAC1MEN1 | |
| SCHEMBL24118259 | 0.88 | POLB (0.44) | ALDH1A1POLBIDO1MEN1KMT2A | |
| SCHEMBL24118272 | 0.85 | MEN1 (0.44) | ALDH1A1POLBIDO1MEN1KMT2A | |
| SCHEMBL24118616 | 0.85 | NAMPT (0.41) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL24118248 | 0.84 | POLB (0.56) | POLBHDAC1HDAC6MEN1KMT2A |
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-20210393600-A1 | Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2021-12-23 | — | — | 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-20210393600-A1 | Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors | IDO1, IDO2, TPH1 | ALDH1A1 144/4885POLB 1950/4885KCNQ3 4341/4885 |
“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.