Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 18/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 18/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 16/20 | 0.54 |
| ▸ | USP2 | O75604 | 12/20 | 0.54 |
| ▸ | CASP1 | P29466 | 10/20 | 0.54 |
| ▸ | CASP7 | P55210 | 9/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.49 |
| ▸ | GLA | P06280 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2408379 | 0.88 | RPS6KA3 (0.48) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2408100 | 0.87 | RPS6KA3 (0.47) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2406067 | 0.87 | JAK3 (0.45) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2409783 | 0.86 | RPS6KA3 (0.43) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL22411573 | 0.85 | RPS6KA3 (0.44) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2411816 | 0.85 | RPS6KA3 (0.55) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2408690 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2407675 | 0.75 | ESR1 (0.45) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2409354 | 0.74 | ESR1 (0.44) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL2407291 | 0.73 | CFTR (0.46) | ALDH1A1CYP1A2HSD17B10USP2CASP1 |
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 |