Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL21199274 | 0.87 | PDE2A (0.41) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL19280466 | 0.87 | PDE2A (0.41) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL19280541 | 0.84 | PDE2A (0.39) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL21199627 | 0.83 | PDE2A (0.44) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL14654970 | 0.82 | GAA (0.40) | PDE2APDE1BMAPTALDH1A1TSHR | |
| SCHEMBL19701836 | 0.80 | PDE1B (0.37) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL14652251 | 0.80 | GAA (0.38) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL19280469 | 0.80 | PDE1B (0.42) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL21199713 | 0.80 | CNR1 (0.39) | PDE2APDE1BLMNAMAPTALDH1A1 | |
| SCHEMBL19354353 | 0.79 | PDE1B (0.44) | PDE2APDE1BLMNAMAPTALDH1A1 |
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-3209664-B1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-03 | — | — | EP | disclosed |