Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.52 |
| ▸ | CNR1 | P21554 | 4/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565620 | 0.74 | MAPK14 (0.49) | CNR2CNR1EPHX2MEN1KMT2A | |
| SCHEMBL6567266 | 0.74 | EPHX2 (0.61) | EPHX2LMNAMEN1MAPTHTT | |
| SCHEMBL4159971 | 0.73 | CTSB (0.51) | CNR2CNR1CTSBCYP1A2LMNA | |
| SCHEMBL4358325 | 0.73 | POLB (0.60) | EPHX2LMNAMEN1MAPTHTT | |
| SCHEMBL4344564 | 0.73 | HTT (0.53) | EPHX2MEN1MAPTHTTKMT2A | |
| SCHEMBL12376849 | 0.72 | CACNA1B (0.74) | CTSBCYP1A2LMNAPOLBCACNA1B | |
| SCHEMBL13990610 | 0.72 | TSHR (0.67) | CTSBCYP1A2LMNAPOLBCACNA1B | |
| SCHEMBL6232831 | 0.71 | KDM4E (0.52) | MEN1HTTKMT2AALDH1A1POLB | |
| SCHEMBL18491364 | 0.71 | MOK (0.55) | CNR2CNR1LMNAMEN1MAPT | |
| SCHEMBL4345612 | 0.70 | HTT (0.66) | LMNAMEN1MAPTHTTKMT2A |
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 |