Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.43 |
| ▸ | BRD2 | P25440 | 2/20 | 0.43 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.43 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TPH1 | P17752 | 2/20 | 0.36 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21389525 | 0.80 | ALDH1A1 (0.46) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL19090210 | 0.78 | TPH2 (0.57) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL21389549 | 0.78 | BRD4 (0.47) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL19090396 | 0.74 | BRD4 (0.48) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL23731028 | 0.73 | BRD4 (0.44) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL19090317 | 0.73 | BRD4 (0.47) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL21389573 | 0.73 | BRD4 (0.52) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL19090321 | 0.72 | BRD4 (0.46) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL21389551 | 0.68 | ALDH1A1 (0.58) | BRD4BRD2BRD3ALDH1A1TSHR | |
| SCHEMBL19090406 | 0.68 | ALDH1A1 (0.50) | BRD4BRD2BRD3ALDH1A1TSHR |
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-3397640-B1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INST NAT SANTE RECH MED (FR) | 2021-08-04 | — | — | EP | disclosed |