Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
| ▸ | RXRG | P48443 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL760191 | 1.00 | PAX8 (0.47) | PAX8NPSR1VNN1CTSLCTSB | |
| SCHEMBL16315748 | 1.00 | PAX8 (0.47) | PAX8NPSR1VNN1CTSLCTSB | |
| SCHEMBL14314448 | 0.85 | PAX8 (0.46) | PAX8VNN1CTSLCTSBESR1 | |
| SCHEMBL13104125 | 0.83 | PAX8 (0.44) | PAX8VNN1CTSLCTSBESR1 | |
| SCHEMBL11523488 | 0.78 | ESR1 (0.50) | PAX8CTSLESR1ESR2CES2 | |
| SCHEMBL13103509 | 0.76 | VNN1 (0.43) | PAX8VNN1CES2CYP1A1CYP1B1 | |
| SCHEMBL758527 | 0.76 | VNN1 (0.59) | VNN1ESR1CES2CYP1A1CYP1B1 | |
| SCHEMBL1824495 | 0.74 | ALDH1A1 (0.40) | PAX8NPSR1VNN1CES2RXRA | |
| SCHEMBL2106202 | 0.74 | CES2 (0.39) | PAX8NPSR1VNN1CTSLCTSB | |
| SCHEMBL2106199 | 0.74 | CES2 (0.39) | PAX8NPSR1VNN1CTSLCTSB |
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-8642576-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| 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 |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | 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-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | 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 (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-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | PAX8 4805/4885NPSR1 2197/4885VNN1 3589/4885 |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | PAX8 4805/4885NPSR1 2197/4885VNN1 3589/4885 |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | CETP, CES1, NPC1 | PAX8 4805/4885NPSR1 2197/4885VNN1 3589/4885 |
“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.