Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | FOS | P01100 | 1/20 | 0.62 |
| ▸ | JUN | P05412 | 1/20 | 0.62 |
| ▸ | BCHE | P06276 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 3/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28439042 | 1.00 | NPC1 (0.69) | NPC1RAB9AALDH1A1FOSJUN | |
| SCHEMBL18699266 | 0.89 | FOS (0.62) | NPC1RAB9AFOSJUNBCHE | |
| SCHEMBL7421642 | 0.87 | FOS (0.63) | FOSJUNBCHEMAOBABCG2 | |
| SCHEMBL7421649 | 0.87 | FOS (0.63) | FOSJUNBCHEMAOBABCG2 | |
| SCHEMBL16588978 | 0.86 | MAOB (0.66) | NPC1RAB9AFOSJUNBCHE | |
| SCHEMBL29455174 | 0.86 | MAOB (0.66) | NPC1RAB9AFOSJUNBCHE | |
| SCHEMBL28896880 | 0.85 | MAOB (0.54) | ALDH1A1FOSJUNBCHEMAOB | |
| SCHEMBL28896883 | 0.85 | MAOB (0.54) | ALDH1A1FOSJUNBCHEMAOB | |
| SCHEMBL19336111 | 0.84 | MAOB (0.62) | NPC1RAB9AALDH1A1FOSJUN | |
| SCHEMBL5806415 | 0.84 | MAOB (0.62) | NPC1RAB9AFOSJUNBCHE |
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-109678902-B | Organic catalyst with rigid spiro [ indan-1, 2' -pyrrolidine ] skeleton, ligand, synthesis and application | 北京师范大学 | 2020-05-15 | — | — | CN | disclosed |