Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 4/20 | 0.37 |
| ▸ | CASP7 | P55210 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | MAP3K8 | P41279 | 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 | |
|---|---|---|---|---|
| SCHEMBL2407675 | 0.99 | ESR1 (0.45) | ESR1ESR2RPS6KA3POLBSMN1; SMN2 | |
| SCHEMBL2409390 | 0.87 | JAK3 (0.47) | ESR1ESR2RPS6KA3ALDH1A1CYP1A2 | |
| SCHEMBL2408100 | 0.83 | RPS6KA3 (0.47) | ESR1ESR2RPS6KA3POLBSMN1; SMN2 | |
| SCHEMBL2408379 | 0.82 | RPS6KA3 (0.48) | ESR1ESR2RPS6KA3ALDH1A1CYP1A2 | |
| SCHEMBL2408819 | 0.78 | ESR1 (0.52) | ESR1ESR2RPS6KA3JAK3BTK | |
| SCHEMBL2408719 | 0.76 | ROCK2 (0.44) | CYP3A4MAP3K8 | |
| SCHEMBL2414403 | 0.76 | MAP3K8 (0.41) | RPS6KA3ALDH1A1HSD17B10BTKMAP3K8 | |
| SCHEMBL2407161 | 0.76 | ESR1 (0.47) | ESR1ESR2RPS6KA3ALDH1A1CYP1A2 | |
| SCHEMBL2410911 | 0.76 | CFTR (0.45) | RPS6KA3POLBSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL2408774 | 0.76 | HPGD (0.41) | POLBSMN1; SMN2ALDH1A1CYP1A2HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011106168-A1 | PURINE COMPOUNDS FOR TREATING AUTOIMMUNE AND DEMYELINATING DISEASES | DCAM PHARMA INC (US) | 2011-09-01 | — | — | WO | claimed |
| WO-2011106168-A1 | PURINE COMPOUNDS FOR TREATING AUTOIMMUNE AND DEMYELINATING DISEASES | DCAM PHARMA INC (US) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011106168-A1 | PURINE COMPOUNDS FOR TREATING AUTOIMMUNE AND DEMYELINATING DISEASES | DCAM PHARMA INC (US) | 2011-09-01 | — | — | WO | disclosed |