Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30569204 | 0.79 | KCNJ1 (0.46) | KCNJ1 | |
| SCHEMBL19475689 | 0.79 | KCNJ1 (0.46) | KCNJ1 | |
| SCHEMBL19475690 | 0.68 | KCNJ1 (0.66) | TP53ABCB1KCNJ1 | |
| SCHEMBL19475649 | 0.67 | MAPT (0.51) | TP53MAPTLMNAKCNJ1JAK1 | |
| SCHEMBL30569166 | 0.67 | MAPT (0.51) | TP53MAPTLMNAKCNJ1JAK1 | |
| SCHEMBL20945405 | 0.59 | KCNJ1 (0.72) | KCNJ1 | |
| SCHEMBL24865134 | 0.58 | POLB (0.43) | TP53KDM4EMAPTTSHRALDH1A1 | |
| SCHEMBL19475675 | 0.58 | KCNJ1 (0.51) | MAPTLMNAKCNJ1 | |
| SCHEMBL21646503 | 0.57 | KDM4E (0.47) | TP53KDM4EMAPTTSHRALDH1A1 | |
| SCHEMBL19264189 | 0.57 | SLC2A1 (0.30) | — |
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-3445762-B1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2023-09-13 | — | — | EP | disclosed |