Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4865890 | 0.84 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL3832557 | 0.83 | MAPT (0.60) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL3831633 | 0.83 | MAPT (0.65) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL3829146 | 0.81 | MAPT (0.64) | ALDH1A1KDM4EMAPTTP53GFER | |
| SCHEMBL3831429 | 0.81 | LMNA (0.58) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL4500886 | 0.81 | ROCK2 (0.62) | CHRNB2CHRNB4CHRNA3CHRNA4ROCK2 | |
| SCHEMBL3831622 | 0.80 | ALDH1A1 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL3828113 | 0.80 | MAPT (0.58) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL3826743 | 0.79 | MAPT (0.82) | ALDH1A1KDM4EMAPTTP53GFER | |
| SCHEMBL3833776 | 0.78 | CYP2C19 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7566717-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2009-07-28 | — | — | US | claimed |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | PALLE VENKATA | 2008-11-06 | — | — | US | claimed |
| EP-1578737-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC (US) | 2009-09-16 | — | — | EP | disclosed |
| US-7566717-B2 | Substituted heterocyclic compounds | GILEAD SCIENCES, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | PALLE VENKATA | 2008-11-06 | — | — | US | disclosed |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | PALLE VENKATA | 2007-07-05 | — | — | US | disclosed |
| US-7205303-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20040176356-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | 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 (3 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-20040176356-A1 | Substituted heterocyclic compounds | KCNH1, KCNJ2, SCN5A | CHRNB2 3835/4885CHRNB4 3499/4885CHRNA3 2532/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | CHRNB2 4017/4885CHRNB4 3260/4885CHRNA3 3120/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | CHRNB2 4017/4885CHRNB4 3260/4885CHRNA3 3120/4885 |
“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.