Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899047 | 0.82 | CHRM3 (0.44) | CYP3A4CYP2C9APPKEAP1NFE2L2 | |
| SCHEMBL9899651 | 0.78 | KMT2A (0.40) | CYP3A4CYP2C9TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4247916 | 0.75 | KEAP1 (0.47) | KEAP1NFE2L2MEN1KMT2ACHRM3 | |
| SCHEMBL9899952 | 0.75 | SSTR4 (0.42) | CYP3A4CYP2C9TAS1R3TAS1R2KEAP1 | |
| SCHEMBL27770442 | 0.74 | CHRM3 (0.45) | CYP3A4KEAP1NFE2L2TSHRCHRM3 | |
| SCHEMBL4213705 | 0.74 | KEAP1 (0.61) | CYP2C9KEAP1NFE2L2CHRM3 | |
| SCHEMBL4203042 | 0.74 | KEAP1 (0.61) | CYP2C9KEAP1NFE2L2CHRM3 | |
| SCHEMBL4203592 | 0.74 | KEAP1 (0.61) | CYP2C9KEAP1NFE2L2CHRM3 | |
| SCHEMBL27743383 | 0.74 | KEAP1 (0.41) | KEAP1NFE2L2CHRM3 | |
| SCHEMBL16735582 | 0.73 | EPHX2 (0.45) | EPHX2CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |