Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7129347 | 0.83 | RAB9A (0.62) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL7492014 | 0.82 | RAB9A (0.55) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL31337431 | 0.80 | MAPT (0.70) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL18743183 | 0.77 | NPC1 (0.53) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL6829163 | 0.76 | RAB9A (0.60) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL6428416 | 0.76 | JAK2 (0.73) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL6829050 | 0.75 | NPC1 (0.56) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL6828818 | 0.74 | KLK7 (0.58) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL5115718 | 0.74 | RAB9A (0.69) | NPC1RAB9AALDH1A1MEN1MAPT | |
| SCHEMBL18993430 | 0.74 | KLK7 (0.50) | NPC1RAB9AALDH1A1MEN1MAPT |
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-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |