Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365052 | 0.88 | HDAC6 (0.50) | HDAC6NPC1POLBRAB9AHTT | |
| SCHEMBL3359806 | 0.88 | CYP3A4 (0.50) | HDAC6RAB9AHTTMEN1KMT2A | |
| SCHEMBL3136961 | 0.79 | ALDH1A1 (0.53) | NPC1POLBRAB9AHTTALOX15 | |
| SCHEMBL1520828 | 0.79 | ALDH1A1 (0.53) | NPC1POLBRAB9AHTTALOX15 | |
| SCHEMBL28714141 | 0.78 | HDAC3 (0.50) | HDAC6NPC1POLBRAB9AHTT | |
| SCHEMBL7274371 | 0.78 | NPC1 (0.47) | NPC1POLBRAB9AHTTALOX15 | |
| SCHEMBL7274367 | 0.78 | NPC1 (0.47) | HDAC6NPC1POLBRAB9AHTT | |
| SCHEMBL2107923 | 0.76 | NPC1 (0.57) | HDAC6NPC1POLBRAB9AHTT | |
| SCHEMBL2464197 | 0.76 | RAB9A (0.50) | NPC1RAB9AMAPTTSHR | |
| SCHEMBL10198779 | 0.76 | ALDH1A1 (0.50) | NPC1POLBRAB9AHTTALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010064735-A1 | QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-06-10 | — | — | WO | disclosed |