Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28250056 | 0.81 | HDAC1 (0.53) | TSHRRAB9AHDAC1NPC1SMN1; SMN2 | |
| SCHEMBL4043837 | 0.79 | MEN1 (0.68) | TSHRRAB9AHDAC1NPC1SMN1; SMN2 | |
| SCHEMBL28250190 | 0.77 | POLB (0.54) | RAB9AHDAC1NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29793498 | 0.75 | HDAC3 (0.47) | RAB9AHDAC1NPC1ALDH1A1KMT2A | |
| SCHEMBL28250048 | 0.74 | RAB9A (0.51) | RAB9ANPC1KMT2AKDM4EMAPT | |
| SCHEMBL29032333 | 0.74 | AR (0.60) | TSHRRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28250865 | 0.73 | HDAC3 (0.46) | TSHRRAB9AHDAC1NPC1ALDH1A1 | |
| SCHEMBL21807366 | 0.73 | HDAC3 (0.46) | TSHRRAB9AHDAC1NPC1ALDH1A1 | |
| SCHEMBL30433221 | 0.73 | TSHR (0.59) | TSHRRAB9AHDAC1NPC1SMN1; SMN2 | |
| SCHEMBL31497793 | 0.73 | DAO (0.48) | TSHRRAB9AHDAC1NPC1SMN1; SMN2 |
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-108752232-B | Synthetic method of alpha-quaternary carbon amino acid | 四川大学 | 2021-03-19 | — | — | CN | disclosed |