Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.43 |
| ▸ | FPR1 | P21462 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | UBE2M | P61081 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL30693218 | 1.00 | TACR1 (0.49) | TACR1HDAC1HDAC2STSRORC | |
| SCHEMBL1969544 | 1.00 | TACR1 (0.49) | TACR1HDAC1HDAC2STSRORC | |
| SCHEMBL1968672 | 1.00 | TACR1 (0.49) | TACR1HDAC1HDAC2STSRORC | |
| SCHEMBL1968682 | 0.95 | TACR1 (0.51) | TACR1STSRORCCXCR3FPR1 | |
| SCHEMBL30693172 | 0.95 | TACR1 (0.51) | TACR1STSRORCCXCR3FPR1 | |
| SCHEMBL1973928 | 0.93 | TACR1 (0.49) | TACR1STSRORCCXCR3FPR1 | |
| SCHEMBL30693214 | 0.92 | TACR1 (0.49) | TACR1STSRORCCXCR3FPR1 | |
| SCHEMBL1969849 | 0.92 | TACR1 (0.49) | TACR1STSRORCCXCR3FPR1 | |
| SCHEMBL1974192 | 0.92 | TACR1 (0.59) | TACR1STSRORCCXCR3UBE2M | |
| SCHEMBL1968872 | 0.92 | TACR1 (0.49) | TACR1HDAC1HDAC2RORCFPR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |