Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13264272 | 0.84 | CYP3A4 (0.48) | CYP3A4ALDH1A1PKML3MBTL1 | |
| SCHEMBL13234062 | 0.83 | CYP3A4 (0.45) | CYP3A4ALDH1A1PKML3MBTL1 | |
| SCHEMBL8316849 | 0.81 | ALDH1A1 (0.46) | CYP3A4ALDH1A1PKML3MBTL1 | |
| SCHEMBL16907555 | 0.78 | NPC1 (0.60) | CYP3A4ALDH1A1PKM | |
| SCHEMBL19765222 | 0.78 | CYP3A4 (0.46) | CYP3A4ALDH1A1PKM | |
| SCHEMBL20724252 | 0.78 | ALDH1A1 (0.46) | CYP3A4ALDH1A1PKML3MBTL1 | |
| SCHEMBL30845136 | 0.77 | FDPS (0.42) | CYP3A4ALDH1A1PKM | |
| SCHEMBL7268929 | 0.77 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL7268924 | 0.77 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL3432947 | 0.77 | L3MBTL1 (0.47) | CYP3A4ALDH1A1PKML3MBTL1 |
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-8470863-B2 | Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists | MERCK SHARP & DOHME, CORP. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20100168195-A1 | DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2010-07-01 | — | — | US | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | 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-20100168195-A1 | DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | ADRA2C, ADRB2, ADRA2A | CYP3A4 1017/4885ALDH1A1 1551/4885PKM 2011/4885 |
“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.