Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4500756 | 0.91 | ROCK2 (0.58) | ROCK2ROCK1NPC1RAB9AMEN1 | |
| SCHEMBL4866569 | 0.81 | CYP3A4 (0.61) | ROCK2ROCK1NPC1RAB9AMEN1 | |
| SCHEMBL4858045 | 0.80 | ALDH1A1 (0.57) | NPC1RAB9AKMT2AALDH1A1KDM4E | |
| SCHEMBL12339946 | 0.79 | MEN1 (0.73) | ROCK2ROCK1NPC1RAB9AMEN1 | |
| SCHEMBL5224753 | 0.79 | ALDH1A1 (0.56) | MEN1KMT2AALDH1A1KDM4EREV1 | |
| SCHEMBL4500886 | 0.77 | ROCK2 (0.62) | ROCK2ROCK1NPC1RAB9AMEN1 | |
| SCHEMBL4866123 | 0.77 | CYP3A4 (0.73) | — | |
| SCHEMBL5413607 | 0.77 | CHRNB2 (0.66) | ROCK2ROCK1MEN1KMT2ACHRNB2 | |
| SCHEMBL4865890 | 0.76 | CHRNB2 (0.56) | ROCK2ROCK1NPC1MEN1KMT2A | |
| SCHEMBL5223317 | 0.76 | KCNH2 (0.47) | ROCK2ROCK1NPC1RAB9AMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | PALLE VENKATA | 2008-11-06 | — | — | US | claimed |
| 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-7407960-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2008-08-05 | — | — | 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 |
| US-20070004751-A1 | Substituted heterocyclic compounds | ELZEIN ELFATIH | 2007-01-04 | — | — | US | disclosed |
| US-7125876-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-20040176356-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-09-09 | — | — | US | disclosed |
| US-20040152890-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | 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-20040176356-A1 | Substituted heterocyclic compounds | KCNH1, KCNJ2, SCN5A | ROCK2 4613/4885ROCK1 4675/4885NPC1 1980/4885 |
| US-20040152890-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | ROCK2 4762/4885ROCK1 4724/4885NPC1 2524/4885 |
| US-20080275238-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | KCNH1, SDHA, COQ8A | ROCK2 4761/4885ROCK1 4757/4885NPC1 2349/4885 |
| US-20070155728-A1 | Substituted Heterocyclic Compounds | KCNH1, SDHA, COQ8A | ROCK2 4761/4885ROCK1 4757/4885NPC1 2349/4885 |
| US-20070004751-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | ROCK2 4761/4885ROCK1 4757/4885NPC1 2349/4885 |
“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.