Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BHMT | Q93088 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4299339 | 1.00 | ALDH1A1 (0.41) | ALDH1A1BHMTSLC22A6TDP1CACNA2D1 | |
| SCHEMBL12886358 | 1.00 | ALDH1A1 (0.41) | ALDH1A1BHMTSLC22A6TDP1CACNA2D1 | |
| SCHEMBL4293645 | 0.79 | — | — | |
| SCHEMBL25436796 | 0.79 | BHMT (0.43) | ALDH1A1BHMTSLC22A6TDP1CACNA2D1 | |
| SCHEMBL143938 | 0.78 | SLC22A6 (0.38) | ALDH1A1BHMTSLC22A6TDP1CACNA2D1 | |
| SCHEMBL12868852 | 0.77 | SMN1; SMN2 (0.36) | ALDH1A1SLC22A6TDP1CACNA2D1CACNB3 | |
| SCHEMBL12868853 | 0.77 | SMN1; SMN2 (0.36) | ALDH1A1SLC22A6TDP1CACNA2D1CACNB3 | |
| SCHEMBL1913764 | 0.77 | CACNA2D1 (0.59) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3112896 | 0.77 | CACNA2D1 (0.59) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3116784 | 0.77 | CACNA2D1 (0.59) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| US-8304403-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | disclosed |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-10-21 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| EP-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | 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-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | PIGS, GPR174, GPR17 | ALDH1A1 461/4885BHMT 2296/4885SLC22A6 732/4885 |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | ALDH1A1 2353/4885BHMT 3212/4885SLC22A6 2722/4885 |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | ALDH1A1 2353/4885BHMT 3212/4885SLC22A6 2722/4885 |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | ALDH1A1 2353/4885BHMT 3212/4885SLC22A6 2722/4885 |
“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.