Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19067620 | 0.81 | HDAC3 (0.42) | CYP2A6ADRB2ASIC3LOXL2RAB9A | |
| SCHEMBL17229269 | 0.79 | F2 (0.37) | PPARACYP2A6ADRB2ASIC3LOXL2 | |
| SCHEMBL1530760 | 0.78 | CYP2A6 (0.37) | CYP2A6ADRB2ASIC3LOXL2NPC1 | |
| SCHEMBL1530454 | 0.77 | CYP2A6 (0.58) | CYP2A6ADRB2ASIC3LOXL2NPC1 | |
| SCHEMBL17080670 | 0.77 | CYP2A6 (0.58) | CYP2A6ADRB2ASIC3LOXL2NPC1 | |
| SCHEMBL13907574 | 0.77 | CYP2A6 (0.36) | CYP2A6ADRB2ASIC3LOXL2NPC1 | |
| SCHEMBL5962350 | 0.77 | CYP2A6 (0.58) | CYP2A6ADRB2ASIC3LOXL2CYP1A2 | |
| SCHEMBL28156001 | 0.77 | CYP2A6 (0.40) | CYP2A6ADRB2ASIC3LOXL2NPC1 | |
| SCHEMBL15980826 | 0.76 | NPSR1 (0.34) | PPARACYP2A6ADRB2NPC1RAB9A | |
| SCHEMBL3469764 | 0.76 | PTPN2 (0.46) | CYP2A6ADRB2ASIC3LOXL2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3523308-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2023-09-06 | — | — | EP | disclosed |
| WO-2001090105-A1 | ISOTHIAZOLES AS PESTICIDES | SYNGENTA LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |