Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 9/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1E | P28566 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL620755 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDTDP1HTR2A | |
| SCHEMBL8163649 | 0.82 | CYP3A4 (0.66) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL6372278 | 0.80 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL542663 | 0.80 | CYP3A4 (0.68) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL6377028 | 0.77 | CYP3A4 (0.56) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL6371313 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL1091015 | 0.75 | CYP3A4 (0.42) | ALDH1A1CYP3A4HPGDTDP1HTR2A | |
| SCHEMBL30313140 | 0.75 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL178010 | 0.75 | CYP3A4 (0.50) | ALDH1A1CYP3A4HPGDTDP1KDM4E | |
| SCHEMBL3472171 | 0.75 | CYP3A4 (0.42) | ALDH1A1CYP3A4HPGDTDP1HTR2A |
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 | ALDH1A1 2007/4885CYP3A4 1352/4885HPGD 1692/4885 |
| US-20030236287-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | ALDH1A1 2007/4885CYP3A4 1352/4885HPGD 1692/4885 |
| US-20040249150-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | ALDH1A1 2007/4885CYP3A4 1352/4885HPGD 1692/4885 |
| US-20050250816-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA7, CHRNA1, CHRNA5 | ALDH1A1 2742/4885CYP3A4 1339/4885HPGD 1975/4885 |
“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.