Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6372027 | 0.87 | CYP3A4 (0.58) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL6371313 | 0.82 | ALDH1A1 (0.44) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL9623392 | 0.81 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL9825110 | 0.80 | CYP3A4 (0.58) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL542562 | 0.79 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL8163649 | 0.79 | CYP3A4 (0.66) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL1774055 | 0.78 | CYP3A4 (0.51) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL6372278 | 0.77 | CYP3A4 (0.63) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL542663 | 0.77 | CYP3A4 (0.68) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL13696472 | 0.76 | ALDH1A1 (0.53) | CYP3A4TDP1ALDH1A1HPGDTRPA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050250816-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | PFIZER INC | 2005-11-10 | — | — | US | disclosed |
| US-20040254373-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | PFIZER INC | 2004-12-16 | — | — | US | disclosed |
| US-20040249150-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | PFIZER INC | 2004-12-09 | — | — | US | disclosed |
| US-20030236287-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | PHARMACIA & UPJOHN COMPANY | 2003-12-25 | — | — | US | disclosed |
| WO-2003093250-A2 | POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-13 | — | — | 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 (4 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-20040254373-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | CYP3A4 1352/4885TDP1 1321/4885ALDH1A1 2007/4885 |
| US-20030236287-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | CYP3A4 1352/4885TDP1 1321/4885ALDH1A1 2007/4885 |
| US-20040249150-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | CYP3A4 1352/4885TDP1 1321/4885ALDH1A1 2007/4885 |
| US-20050250816-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA7, CHRNA1, CHRNA5 | CYP3A4 1339/4885TDP1 2203/4885ALDH1A1 2742/4885 |
“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.