Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 1/20 | 0.61 |
| ▸ | PLAU | P00749 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13219342 | 1.00 | PLG (0.61) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL13219345 | 0.88 | CYP2A6 (0.54) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL29951912 | 0.84 | PLG (0.68) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL2219992 | 0.84 | PLG (0.68) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL212820 | 0.77 | PLG (0.61) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL2535062 | 0.75 | CYP2A6 (0.61) | PLGPLAUCYP2A6IMPDH2ALDH1A1 | |
| SCHEMBL28467151 | 0.74 | TDP1 (0.57) | ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E | |
| SCHEMBL29152717 | 0.74 | ATM (0.57) | ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E | |
| SCHEMBL10396923 | 0.73 | NR4A2 (0.62) | ALDH1A1RAB9ASMN1; SMN2HTTKDR | |
| 3-Formylindole SCHEMBL28119225 | 0.73 | CYP2A6 (0.79) | CYP2A6IMPDH2ALDH1A1RAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |