Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SCD | O00767 | 1/20 | 0.44 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 4/20 | 0.43 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664589 | 0.88 | HDAC8 (0.59) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL10283170 | 0.83 | HDAC8 (0.69) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL4179238 | 0.80 | HDAC8 (0.51) | HDAC8HDAC6HDAC1HDAC2 | |
| SCHEMBL3432639 | 0.80 | HDAC8 (0.51) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL19993940 | 0.80 | ESR2 (0.56) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL23269700 | 0.79 | HDAC8 (0.61) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL21628388 | 0.79 | HPGD (0.71) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL21628764 | 0.76 | SMN1; SMN2 (0.67) | HDAC8HDAC6HDAC1HDAC3HDAC11 | |
| SCHEMBL21628888 | 0.76 | SMN1; SMN2 (0.67) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL21628890 | 0.75 | SMN1; SMN2 (0.65) | HDAC8HDAC6HDAC1HDAC3HDAC11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630887-B1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LTD (GB) | 1999-07-28 | — | — | EP | claimed |
| US-5654299-A | TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-08-05 | — | — | US | claimed |
| EP-0630887-A1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LIMITED (GB) | 1994-12-28 | — | — | EP | claimed |