Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | BACE1 | P56817 | 2/20 | 0.55 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3208591 | 1.00 | CYP2A6 (0.57) | CYP2A6BACE1ERN1IMPDH2TDP1 | |
| SCHEMBL27148984 | 0.77 | CLK1 (0.44) | CYP2A6BACE1ERN1TDP1GAA | |
| SCHEMBL29952428 | 0.77 | CYP2A6 (0.70) | CYP2A6ERN1IMPDH2TDP1KMT2A | |
| SCHEMBL28784022 | 0.77 | CLK1 (0.46) | BACE1TDP1GAAKMT2AMEN1 | |
| SCHEMBL1943316 | 0.77 | CLK1 (0.46) | BACE1TDP1GAAKMT2AMEN1 | |
| SCHEMBL6583553 | 0.77 | CLK1 (0.46) | BACE1TDP1GAAKMT2AMEN1 | |
| SCHEMBL395905 | 0.77 | TDP1 (0.50) | BACE1TDP1GAAKMT2AMEN1 | |
| SCHEMBL29811443 | 0.77 | TDP1 (0.50) | BACE1TDP1GAAKMT2AMEN1 | |
| SCHEMBL3786029 | 0.77 | CLK1 (0.46) | CYP2A6BACE1TDP1GAAKMT2A | |
| SCHEMBL29236563 | 0.77 | CLK1 (0.55) | BACE1TDP1GAAKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023235782-A2 | ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF | ANKH LIFE SCIENCES LIMITED (IE) | 2023-12-07 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |