Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.56 |
| ▸ | NAMPT | P43490 | 2/20 | 0.50 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 6/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353993 | 0.88 | MTOR (0.67) | MTORNAMPTPRMT3RORCCNR1 | |
| SCHEMBL4354905 | 0.87 | MAPT (0.51) | — | |
| SCHEMBL4346902 | 0.87 | EPHX2 (0.54) | MTORCA1CA2CA9 | |
| SCHEMBL4348962 | 0.83 | MTOR (0.50) | MTORNAMPTPRMT3CNR1TRPV1 | |
| SCHEMBL4348431 | 0.78 | MTOR (0.68) | MTORNAMPTPRMT3RORCCNR1 | |
| SCHEMBL4354911 | 0.78 | PDE2A (0.40) | MTOROPRM1OPRL1 | |
| SCHEMBL4348451 | 0.78 | PDE2A (0.48) | CA1CA2CA9 | |
| SCHEMBL4348348 | 0.77 | MTOR (0.69) | MTORNAMPTPRMT3RORCCNR1 | |
| SCHEMBL6229028 | 0.77 | MTOR (0.56) | MTORNAMPTPRMT3RORCCNR1 | |
| SCHEMBL4354116 | 0.76 | NPC1 (0.58) | NAMPTRORC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |