Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | PTAFR | P25105 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29289800 | 0.87 | NPC1 (0.47) | NPC1RAB9ATSHRHPGDS1PR1 | |
| SCHEMBL29024959 | 0.82 | NPC1 (0.55) | NPC1RAB9ATSHRHPGDS1PR1 | |
| SCHEMBL29024737 | 0.78 | NPC1 (0.49) | NPC1RAB9ATSHRHPGDS1PR1 | |
| SCHEMBL31098603 | 0.78 | MBOAT4 (0.47) | NPC1RAB9ATSHRALDH1A1KMT2A | |
| SCHEMBL1743671 | 0.78 | MBOAT4 (0.47) | NPC1RAB9ATSHRALDH1A1KMT2A | |
| SCHEMBL30476612 | 0.77 | KMT2A (0.40) | NPC1RAB9ATSHRHPGDPTAFR | |
| SCHEMBL3456584 | 0.74 | NPC1 (0.53) | NPC1RAB9ATSHRHPGDS1PR1 | |
| SCHEMBL28923327 | 0.74 | TRPM8 (0.40) | NPC1RAB9ATSHRHPGDKMT2A | |
| SCHEMBL23982359 | 0.74 | HSD11B1 (0.36) | NPC1RAB9ATSHRHPGDS1PR1 | |
| SCHEMBL12753574 | 0.74 | CNR1 (0.59) | NPC1RAB9ATSHRHPGDS1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113563245-B | Substituted pyrrolidines and their use in medicine | 广东东阳光药业股份有限公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-116354894-A | Substituted piperazine compound and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-113563245-A | Substituted pyrrolidine compounds and application thereof in medicines | 广东东阳光药业有限公司 | 2021-10-29 | — | — | CN | disclosed |