Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.69 |
| ▸ | CNR2 | P34972 | 5/20 | 0.69 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.52 |
| ▸ | CASR | P41180 | 4/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567548 | 0.82 | CA1 (0.75) | EPHX2CA1CA2HSD17B2ALDH1A1 | |
| SCHEMBL6568657 | 0.81 | BCAT2 (0.50) | CNR1CNR2CA1CA2HSD17B2 | |
| SCHEMBL6567274 | 0.80 | CA2 (0.48) | CNR1CNR2CA1CA2HSD17B2 | |
| SCHEMBL9116017 | 0.77 | MEN1 (0.68) | CNR1CNR2EPHX2CASRMTNR1A | |
| SCHEMBL2427167 | 0.76 | CNR1 (0.70) | CNR1CNR2EPHX2CASRMTNR1A | |
| SCHEMBL5327611 | 0.75 | CNR1 (0.57) | CNR1CNR2EPHX2CA1CA2 | |
| SCHEMBL8804316 | 0.74 | CNR1 (0.65) | CNR1CNR2EPHX2CASRMTNR1A | |
| SCHEMBL4619635 | 0.73 | EPHX2 (1.00) | CNR1CNR2EPHX2MTNR1AMTNR1B | |
| SCHEMBL5468000 | 0.72 | CNR1 (0.64) | CNR1CNR2EPHX2CASRMTNR1A | |
| SCHEMBL1709277 | 0.71 | MTNR1A (0.72) | CNR1CNR2EPHX2CASRMTNR1A |
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-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 |