Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 8/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27624234 | 0.82 | HDAC8 (0.52) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL28030580 | 0.80 | HDAC8 (0.50) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL235433 | 0.78 | HDAC8 (0.48) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL3617819 | 0.78 | ALDH1A1 (0.40) | HDAC8HDAC6HDAC2HTTSMN1; SMN2 | |
| SCHEMBL12615099 | 0.78 | HDAC8 (0.48) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL7579409 | 0.78 | HDAC8 (0.39) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL6185385 | 0.76 | CA12 (0.42) | HDAC6HPGDPLK1 | |
| SCHEMBL745459 | 0.76 | PLK1 (0.55) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL250247 | 0.75 | HDAC6 (0.80) | HDAC8HDAC6HDAC2HPGDTSHR | |
| SCHEMBL26129974 | 0.74 | HDAC8 (0.44) | HDAC8HDAC6HDAC2HPGDTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572646-A1 | N-(INDOLETHYL-)CACLOAMINE COMPOUNDS | MERCK PATENT GmbH (DE) | 2005-09-14 | — | — | EP | disclosed |
| EP-1465868-A1 | PHENOXY PIPERIDINES FOR TREATING DISEASES SUCH AS SCHIZOPHRENIA AND DEPRESSION | MERCK PATENT GmbH (DE) | 2004-10-13 | — | — | EP | disclosed |
| WO-2004054972-A1 | N-(INDOLETHYL-)CACLOAMINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-07-01 | — | — | WO | disclosed |
| WO-2003059882-A1 | PHENOXY PIPERIDINES FOR TREATING DISEASES SUCH AS SCHIZOPHRENIA AND DEPRESSION | MERCK PATENT GMBH (DE) | 2003-07-24 | — | — | WO | disclosed |