Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5965220 | 1.00 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2PPARAHSD17B10 | |
| SCHEMBL5996081 | 0.80 | CHRNB2 (0.34) | CHRNB2CHRNA4 | |
| SCHEMBL6029855 | 0.76 | CYP3A4 (0.38) | NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL5743703 | 0.76 | CYP3A4 (0.38) | NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6028969 | 0.73 | CYP3A4 (0.45) | CYP3A4 | |
| SCHEMBL7280300 | 0.73 | ADRA2A (0.35) | — | |
| SCHEMBL5746249 | 0.73 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6028975 | 0.73 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6260848 | 0.72 | CYP3A4 (0.40) | NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6195656 | 0.71 | CYP3A4 (0.38) | NPC1RAB9ASMN1; SMN2CYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054457-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | ELZEIN ELFATIH | 2009-02-26 | — | — | US | disclosed |
| US-7452889-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20080032993-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | ELZEIN ELFATIH | 2008-02-07 | — | — | US | disclosed |
| US-7262198-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2007-08-28 | — | — | US | disclosed |
| US-20060229317-A1 | Substituted heterocyclic compounds | ELZEIN ELFATIH | 2006-10-12 | — | — | US | disclosed |
| US-7115610-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-7056924-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-06-06 | — | — | US | disclosed |
| US-7026321-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-04-11 | — | — | US | disclosed |
| EP-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| US-20050197346-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2005-09-08 | — | — | US | disclosed |
| US-20040186109-A1 | piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction | CV THERAPEUTICS, INC. | 2004-09-23 | — | — | US | disclosed |
| US-20040176383-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | 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 (6 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-20060229317-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | NPC1 1893/4885RAB9A 1281/4885SMN1; SMN2 2108/4885 |
| US-20040176383-A1 | Substituted heterocyclic compounds | DLD, LPL, HDLBP | NPC1 638/4885RAB9A 1381/4885SMN1; SMN2 2059/4885 |
| US-20040186109-A1 | piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction | KCNJ2, PPARA, PPARD | NPC1 3223/4885RAB9A 3287/4885SMN1; SMN2 3469/4885 |
| US-20080032993-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | NPC1 1893/4885RAB9A 1281/4885SMN1; SMN2 2108/4885 |
| US-20090054457-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | NPC1 1893/4885RAB9A 1281/4885SMN1; SMN2 2108/4885 |
| US-20050197346-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | NPC1 1893/4885RAB9A 1281/4885SMN1; SMN2 2108/4885 |
“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.