Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 6/20 | 0.38 |
| ▸ | PDE1A | P54750 | 4/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 3/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE8B | O95263 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12844112 | 0.77 | PDE1B (0.55) | PDE1BPDE1APDE1CALDH1A1HPGD | |
| SCHEMBL27109564 | 0.76 | KDM4E (0.42) | PDE1BPDE1APDE1CALDH1A1EGFR | |
| SCHEMBL11583026 | 0.73 | HTR1A (0.50) | ALDH1A1HPGDHSD17B10EGFR | |
| SCHEMBL17537346 | 0.69 | DRD1 (0.41) | ALDH1A1HPGDHSD17B10PDE4BPDE2A | |
| SCHEMBL20813788 | 0.69 | MAPT (0.38) | ALDH1A1HPGDEGFRRETPIK3CA | |
| SCHEMBL21348441 | 0.68 | PARP1 (0.50) | ALDH1A1 | |
| SCHEMBL332545 | 0.67 | ABCB1 (0.38) | RETPIK3CAPIK3R1 | |
| SCHEMBL24392596 | 0.67 | PIK3CA (0.43) | RETPIK3CAPIK3R1HDAC1PDE5A | |
| SCHEMBL9491139 | 0.67 | AKR1B10 (0.40) | ALDH1A1HPGDHSD17B10PDE4BPDE4D | |
| SCHEMBL22744980 | 0.67 | PIK3CA (0.53) | PIK3CAPIK3R1HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022091048-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |