Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | C1R | P00736 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL239860 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2A6MAOAMAOBPDE3B | |
| SCHEMBL3071480 | 0.83 | BACE1 (0.60) | CYP1A2CYP2A6BACE1NR4A2TYMS | |
| SCHEMBL13077349 | 0.80 | MAOA (0.41) | CYP1A2MAOAMAOBCYP3A4TSHR | |
| SCHEMBL1615737 | 0.78 | ACHE (0.45) | CYP1A2MAOAMAOBTSHRBACE1 | |
| SCHEMBL116741 | 0.78 | ALDH1A1 (0.50) | CYP1A2MAOAMAOBCYP3A4TSHR | |
| SCHEMBL7219172 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2A6MAOAMAOBPDE3B | |
| SCHEMBL707745 | 0.78 | BACE1 (0.66) | CYP1A2MAOAMAOBCYP3A4TSHR | |
| SCHEMBL7045373 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP2A6MAOAMAOBPDE3B | |
| SCHEMBL29980068 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP2A6MAOAMAOBPDE3B | |
| SCHEMBL3338347 | 0.78 | MAOA (0.40) | MAOAMAOBCYP3A4TSHRBACE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116348112-A | Imidazopiperazine inhibitors of transcriptional activator proteins | 德州大学系统董事会 | 2023-06-27 | — | — | CN | disclosed |
| WO-2022138888-A1 | TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF | 東レ株式会社 | 2022-06-30 | — | — | WO | disclosed |