Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809658 | 0.83 | RIPK1 (0.53) | LMNARIPK1 | |
| SCHEMBL8329891 | 0.83 | MTNR1A (0.44) | TDP1MTNR1ACTNNB1CYP1A2CYP2C9 | |
| SCHEMBL7277353 | 0.82 | MTNR1A (0.49) | TDP1MTNR1ACTNNB1CYP1A2CYP2C9 | |
| SCHEMBL9527106 | 0.80 | KDM4E (0.54) | TDP1MTNR1A | |
| SCHEMBL9859583 | 0.79 | SIGMAR1 (0.48) | TDP1RIPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2480671 | 0.79 | KMT2A (0.51) | TDP1MTNR1ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20825094 | 0.79 | MTNR1A (0.50) | TDP1MTNR1ACTNNB1CYP1A2CYP2C9 | |
| SCHEMBL27584168 | 0.78 | TDP1 (0.54) | TDP1MTNR1ACTNNB1CYP1A2KMT2A | |
| SCHEMBL8535073 | 0.77 | CYP1A2 (0.50) | TDP1MTNR1ACTNNB1CYP1A2CYP2C9 | |
| SCHEMBL9518025 | 0.77 | SIGMAR1 (0.46) | TDP1MTNR1ACYP1A2CYP2C9CYP2C19 |
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-117865776-A | Method for directly converting aromatic alkyne into chiral alcohol by one-pot method | 三峡大学 | 2024-04-12 | — | — | CN | disclosed |