Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.44 |
| ▸ | STS | P08842 | 2/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | UBE2M | P61081 | 2/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.40 |
| ▸ | RHOC | P08134 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1970583 | 1.00 | TACR1 (0.44) | TACR1STSCXCR3MCL1UBE2M | |
| SCHEMBL1969849 | 0.90 | TACR1 (0.49) | TACR1STSCXCR3UBE2MDCUN1D1 | |
| SCHEMBL30693214 | 0.90 | TACR1 (0.49) | TACR1STSCXCR3UBE2MDCUN1D1 | |
| SCHEMBL15397478 | 0.89 | DCUN1D1 (0.44) | TACR1CXCR3UBE2MDCUN1D1RHOC | |
| SCHEMBL1973928 | 0.89 | TACR1 (0.49) | TACR1STSCXCR3UBE2MDCUN1D1 | |
| SCHEMBL1968682 | 0.89 | TACR1 (0.51) | TACR1STSCXCR3EPHX2RORC | |
| SCHEMBL30693172 | 0.89 | TACR1 (0.51) | TACR1STSCXCR3EPHX2RORC | |
| SCHEMBL13801293 | 0.88 | TACR1 (0.46) | TACR1STSMCL1TACR2TACR3 | |
| SCHEMBL13814703 | 0.88 | TACR1 (0.46) | TACR1STSMCL1TACR2TACR3 | |
| SCHEMBL1969544 | 0.87 | TACR1 (0.49) | TACR1STSCXCR3UBE2MDCUN1D1 |
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 |