Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24314011 | 0.91 | FABP7 (0.48) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL24314020 | 0.89 | CYP11B1 (0.55) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL24314017 | 0.82 | FABP7 (0.59) | CRBNPGRFABP7FABP3FABP5 | |
| SCHEMBL24314993 | 0.81 | CYP1A2 (0.70) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL26793073 | 0.79 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP1A2CYP2C9FABP7 | |
| SCHEMBL10837629 | 0.77 | MAOA (0.48) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL13524674 | 0.76 | KIF11 (0.67) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL3468129 | 0.76 | KIF11 (0.69) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL26793370 | 0.76 | FABP7 (0.56) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL3309000 | 0.75 | TDP2 (0.60) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A |
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 |