Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.65 |
| ▸ | TACR1 | P25103 | 18/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.59 |
| ▸ | TACR3 | P29371 | 9/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27664310 | 0.93 | GPBAR1 (0.57) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL27664137 | 0.92 | GPBAR1 (0.54) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL30981004 | 0.91 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL30981003 | 0.91 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL336998 | 0.91 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL27643001 | 0.90 | GPBAR1 (0.64) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL1872544 | 0.90 | GPBAR1 (0.74) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL27664255 | 0.86 | TACR1 (0.50) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL27642982 | 0.85 | TACR1 (0.64) | GPBAR1TACR1TACR3 | |
| SCHEMBL1872995 | 0.85 | GPBAR1 (0.70) | GPBAR1TACR1CYP3A4TACR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |