Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28290677 | 0.98 | NPC1 (0.41) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL211712 | 0.79 | CHEK1 (0.49) | NPC1ALDH1A1ATMKDM4ECYP1A2 | |
| SCHEMBL22384583 | 0.77 | ALDH1A1 (0.47) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL30748631 | 0.75 | NPC1 (0.50) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL10133307 | 0.75 | NPC1 (0.61) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL2008158 | 0.74 | ALDH1A1 (0.49) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL24784416 | 0.73 | MET (0.47) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL28152084 | 0.73 | NPC1 (0.59) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL27737552 | 0.72 | HSD11B1 (0.46) | NPC1POLBRAB9AMAPTMEN1 | |
| SCHEMBL21827151 | 0.72 | MAPT (0.41) | NPC1POLBRAB9AMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |