Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | FABP7 | O15540 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23525396 | 0.89 | CYP1A2 (0.34) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL22804045 | 0.78 | CYP1A2 (0.41) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL22691907 | 0.76 | KMT2A (0.38) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL22691903 | 0.76 | KMT2A (0.38) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL22804042 | 0.76 | CYP1A2 (0.37) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL23525180 | 0.75 | CYP1A2 (0.35) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL22804049 | 0.75 | CYP1A2 (0.41) | CYP1A2TSHRPIN1MAPT | |
| SCHEMBL23525354 | 0.73 | TSHR (0.34) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL23525193 | 0.73 | TSHR (0.34) | HTR2ACA1CA2KMT2ACYP1A2 | |
| SCHEMBL29035011 | 0.73 | CA1 (0.33) | HTR2ACA1CA2KMT2ACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |