Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 15/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3886759 | 0.81 | MYC (0.47) | NAMPT | |
| SCHEMBL2563881 | 0.77 | TDP1 (0.46) | NAMPTALDH1A1TP53TDP1 | |
| SCHEMBL19721401 | 0.77 | GRM4 (0.49) | GPBAR1MAOAMAOB | |
| SCHEMBL25488361 | 0.74 | CA12 (0.42) | MAOAMAOBALDH1A1TP53 | |
| SCHEMBL19939976 | 0.73 | NAPRT (0.44) | ALDH1A1TP53TDP1 | |
| SCHEMBL12811651 | 0.73 | CYP1A2 (0.51) | MAOAMAOBALDH1A1 | |
| SCHEMBL6637548 | 0.72 | SIRT3 (0.50) | GPBAR1TACR1TDP1 | |
| SCHEMBL20035478 | 0.71 | LIMK1 (0.46) | GPBAR1MAOAMAOBTACR1 | |
| SCHEMBL23241110 | 0.71 | SENP2 (0.47) | — | |
| SCHEMBL28584507 | 0.71 | GPBAR1 (0.46) | GPBAR1MAOAMAOB |
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-113853372-A | Thio-heterocyclic exchange chemistry and uses thereof | 弗吉尼亚大学专利基金委员会 | 2021-12-28 | — | — | CN | disclosed |