Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.70 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.70 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.70 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.58 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
| ▸ | KIF11 | P52732 | 2/20 | 0.55 |
| ▸ | PGR | P06401 | 3/20 | 0.54 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL24314020 | 0.84 | CYP11B1 (0.55) | CYP1A2CYP11B1CYP11B2PKMCYP2C9 | |
| SCHEMBL1764375 | 0.84 | PKM (0.65) | CYP1A2CYP11B1CYP11B2PKMCYP2C9 | |
| SCHEMBL29546603 | 0.83 | PGR (0.54) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL1119377 | 0.83 | CYP11B1 (1.00) | CYP1A2CYP11B1CYP11B2PKMCYP2C9 | |
| SCHEMBL3468129 | 0.83 | KIF11 (0.69) | CYP1A2CYP11B1CYP11B2CYP2C9TBXAS1 | |
| SCHEMBL24314052 | 0.81 | CYP11B1 (0.52) | CYP1A2CYP11B1CYP11B2PKMCYP2C9 | |
| SCHEMBL13525229 | 0.81 | CYP11B1 (0.62) | CYP1A2CYP11B1CYP11B2PKMCYP2C9 | |
| SCHEMBL3306566 | 0.81 | KIF11 (0.69) | CYP1A2CYP11B1CYP11B2CYP2C9TBXAS1 | |
| SCHEMBL16208517 | 0.80 | KIF11 (0.72) | CYP1A2CYP11B1CYP11B2PKMKIF11 | |
| SCHEMBL4406856 | 0.79 | CRBN (0.57) | PDE3BPDE3APGRCRBNCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022076820-A1 | TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-04-14 | — | — | WO | disclosed |