Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.56 |
| ▸ | WNT3A | P56704 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TP53BP1 | Q12888 | 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 | |
|---|---|---|---|---|
| SCHEMBL8384433 | 0.92 | CTNNB1 (0.60) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL2743374 | 0.88 | CES2 (0.57) | CES2CTNNB1WNT3ASRD5A2HDAC3 | |
| SCHEMBL7376684 | 0.84 | CES2 (0.57) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL5542102 | 0.84 | CES2 (0.57) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL17134152 | 0.84 | HDAC3 (0.60) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL5851344 | 0.84 | CES2 (0.57) | CES2CTNNB1WNT3ASRD5A2HDAC3 | |
| SCHEMBL4314619 | 0.84 | CES2 (0.61) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL5849210 | 0.83 | HDAC3 (0.60) | CES2CTNNB1WNT3ASRD5A2HDAC3 | |
| SCHEMBL5660597 | 0.83 | CES2 (0.56) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 | |
| SCHEMBL27629242 | 0.83 | HDAC3 (0.59) | CES2CTNNB1WNT3ASRD5A2ALDH1A1 |
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-2009137338-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-12 | — | — | WO | disclosed |