Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 7/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18257581 | 0.87 | IDO1 (0.38) | CTSSCTSKIDO1HSP90AA1HSP90AB1 | |
| SCHEMBL18257530 | 0.85 | BRD9 (0.39) | IDO1HSP90AA1HSP90AB1BRD9TRPV1 | |
| SCHEMBL16748891 | 0.81 | TDP2 (0.40) | TTKCTSSCTSKIDO1HSP90AA1 | |
| SCHEMBL24408408 | 0.76 | METAP1 (0.49) | TTKCTSSCTSKIDO1CTSL | |
| SCHEMBL4414634 | 0.71 | LMNA (0.48) | IDO1HSP90AA1HSP90AB1BRD9TRPV1 | |
| SCHEMBL404007 | 0.71 | TDP2 (0.42) | IDO1HSP90AA1HSP90AB1BRD9TDP2 | |
| SCHEMBL3783723 | 0.70 | BRD9 (0.47) | IDO1HSP90AA1HSP90AB1BRD9TRPV1 | |
| SCHEMBL2880191 | 0.70 | LMNA (0.54) | HSP90AA1HSP90AB1BRD9RXFP1METAP1 | |
| SCHEMBL16745998 | 0.70 | TDP2 (0.42) | IDO1HSP90AA1HSP90AB1BRD9TRPV1 | |
| SCHEMBL28444082 | 0.70 | CHRM3 (0.52) | BRD9LMNA |
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-2864336-B1 | BENZO[B]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2016-11-23 | — | — | EP | disclosed |