Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL30330984 | 0.80 | CYP1A2 (0.46) | ALDH1A1CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL28277542 | 0.78 | S1PR5 (0.44) | SMN1; SMN2ALDH1A1BCHES1PR4S1PR1 | |
| SCHEMBL28278967 | 0.78 | S1PR5 (0.44) | SMN1; SMN2ALDH1A1BCHES1PR4S1PR1 | |
| SCHEMBL9281383 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1CHRNB2CHRNA7CHRNA4 | |
| Acetic Acid SCHEMBL29252523 | 0.75 | CYP1A2 (0.42) | ALDH1A1CHRNB2CHRNA7CHRNA4CHRNA5 | |
| Acetic Acid SCHEMBL30330598 | 0.75 | CYP1A2 (0.53) | CHRNB2CHRNA7CHRNA4CHRNA5S1PR1 | |
| SCHEMBL11926 | 0.74 | — | — | |
| SCHEMBL11921 | 0.74 | — | — | |
| SCHEMBL60463 | 0.74 | — | — | |
| Iodide SCHEMBL29010172 | 0.73 | CYP1A2 (0.53) | ALDH1A1S1PR4S1PR1S1PR3S1PR5 |
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-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2012-03-15 | — | — | 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-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | SMN1; SMN2 4085/4885ALDH1A1 3777/4885CHRNB2 3531/4885 |
“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.