Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4360043 | 0.89 | FPR2 (0.63) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL4348896 | 0.86 | CA12 (0.50) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL4346749 | 0.86 | FPR2 (0.47) | FPR2TACR1POLBTP53ATM | |
| SCHEMBL26606001 | 0.85 | CA12 (0.61) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL26606003 | 0.85 | CA12 (0.61) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL6568645 | 0.83 | FPR2 (0.64) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL4347810 | 0.83 | MEN1 (0.53) | FPR2CA12CA1CA2CA9 | |
| SCHEMBL12846754 | 0.83 | PTGS2 (0.48) | FPR2TACR1POLBTP53ATM | |
| SCHEMBL4342240 | 0.83 | PTGS2 (0.48) | FPR2TACR1POLBTP53ATM | |
| SCHEMBL20335110 | 0.81 | TP53 (0.67) | FPR2CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |