Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CPN1 | P15169 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 4/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348176 | 0.88 | HRH3 (0.45) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL4708069 | 0.82 | HRH3 (0.47) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL19291884 | 0.81 | HRH3 (0.39) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL18700760 | 0.80 | HRH3 (0.46) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL1691733 | 0.79 | HRH3 (0.42) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL1691771 | 0.79 | HRH3 (0.42) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL28842808 | 0.78 | — | — | |
| SCHEMBL7704486 | 0.78 | HRH3 (0.53) | HRH3HRH4KMT2ACPN1CPB2 | |
| SCHEMBL24535449 | 0.77 | CYP1A2 (0.44) | EPHX1 | |
| SCHEMBL10463427 | 0.77 | CYP1A2 (0.44) | EPHX1 |
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-2012082947-A1 | COMPOUNDS AND COMPOSITIONS AS TGR5 AGONISTS | IRM LLC (BM) | 2012-06-21 | — | — | WO | claimed |