Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8458434 | 0.91 | DPP4 (0.52) | TACR1CNR1 | |
| SCHEMBL8459967 | 0.85 | TACR1 (0.59) | TACR1TP53SMN1; SMN2 | |
| SCHEMBL9082221 | 0.84 | CNR1 (0.50) | RXFP1CNR1 | |
| Hydrochloric Acid SCHEMBL8948118 | 0.80 | TACR1 (0.50) | TACR1 | |
| SCHEMBL8947872 | 0.80 | DPP4 (0.51) | TACR1SMN1; SMN2 | |
| SCHEMBL8947793 | 0.79 | DPP4 (0.50) | TACR1SMN1; SMN2 | |
| SCHEMBL8947804 | 0.79 | DPP4 (0.50) | TACR1SMN1; SMN2 | |
| SCHEMBL8947922 | 0.79 | DPP4 (0.49) | TACR1 | |
| SCHEMBL8947799 | 0.78 | DPP4 (0.48) | TACR1SMN1; SMN2 | |
| SCHEMBL8947941 | 0.78 | TACR1 (0.71) | TACR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | disclosed |