Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4723471 | 1.00 | P2RX7 (0.39) | P2RX7RORCHSD11B1PARP1PDE3B | |
| SCHEMBL14101792 | 0.88 | NOTUM (0.39) | P2RX7PARP1NOTUMMEN1USP2 | |
| SCHEMBL4721099 | 0.87 | P2RX7 (0.41) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4721096 | 0.87 | P2RX7 (0.41) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4719661 | 0.86 | P2RX7 (0.38) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4719662 | 0.86 | P2RX7 (0.38) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4723162 | 0.86 | PDE3B (0.39) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4723155 | 0.86 | PDE3B (0.39) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4720706 | 0.85 | P2RX7 (0.42) | P2RX7RORCHSD11B1PDE3BPDE3A | |
| SCHEMBL4722448 | 0.85 | RORC (0.41) | P2RX7RORCHSD11B1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |