Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL522262 | 0.87 | HTT (0.64) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL26353609 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL5095253 | 0.86 | PKM (0.54) | ALDH1A1TDP1CYP3A4TSHRMAPT | |
| SCHEMBL3596308 | 0.85 | L3MBTL1 (0.45) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL9364706 | 0.85 | POLB (0.49) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL13835715 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL8902175 | 0.85 | CHEK1 (0.51) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL11694122 | 0.85 | LMNA (0.46) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL18415341 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL9364790 | 0.82 | SMN1; SMN2 (0.44) | ALDH1A1TDP1CYP3A4TSHRHTT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069341-A1 | INHIBITORS OF HSP90 | CHENE PATRICK | 2009-03-12 | — | — | US | disclosed |
| CN-101027054-A | Inhibitors of HSP90 | NOVARTIS AG (CH) | 2007-08-29 | — | — | CN | disclosed |
| EP-1776110-A1 | INHIBITORS OF HSP90 | Novartis AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006010594-A1 | INHIBITORS OF HSP90 | NOVARTIS AG (CH) | 2006-02-02 | — | — | WO | disclosed |
| 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 (5 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 2007/4885TDP1 1321/4885CYP3A4 1352/4885 |
| US-20030236287-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | ALDH1A1 2007/4885TDP1 1321/4885CYP3A4 1352/4885 |
| US-20090069341-A1 | INHIBITORS OF HSP90 | HSP90AB1, HSP90B1, HSP90AA1 | ALDH1A1 2811/4885TDP1 879/4885CYP3A4 3840/4885 |
| US-20040249150-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA1, CHRNB1, CHRM1 | ALDH1A1 2007/4885TDP1 1321/4885CYP3A4 1352/4885 |
| US-20050250816-A1 | Positive allosteric modulators of the nicotinic acetylcholine receptor | CHRNA7, CHRNA1, CHRNA5 | ALDH1A1 2742/4885TDP1 2203/4885CYP3A4 1339/4885 |
“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.