Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.30 |
| ▸ | CPB1 | P15086 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| Purine SCHEMBL28177652 | 0.83 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53KDM4ETSHRMME | |
| Purine SCHEMBL28299818 | 0.80 | SMN1; SMN2 (0.42) | SMN1; SMN2TP53KDM4ETSHRMME | |
| Purine SCHEMBL21998271 | 0.79 | SMN1; SMN2 (0.37) | SMN1; SMN2TP53KDM4ETSHRGAA | |
| Purine SCHEMBL8066127 | 0.79 | SMN1; SMN2 (0.37) | SMN1; SMN2TP53KDM4ETSHRGAA | |
| Purine SCHEMBL28724547 | 0.78 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53KDM4ETSHRMME | |
| Purine SCHEMBL19809958 | 0.78 | ALDH1A1 (0.39) | SMN1; SMN2TP53KDM4ETSHRHIF1A | |
| Purine SCHEMBL28153340 | 0.78 | KDM4E (0.39) | SMN1; SMN2TP53KDM4ENTRK1HIF1A | |
| Purine SCHEMBL29465224 | 0.78 | ALDH1A1 (0.39) | SMN1; SMN2KDM4ETSHRNTRK1HIF1A | |
| Purine SCHEMBL28164598 | 0.78 | ALDH1A1 (0.44) | TP53KDM4EHIF1ACYP1A2ALDH1A1 | |
| Purine SCHEMBL28325655 | 0.77 | ALDH1A1 (0.38) | SMN1; SMN2TP53KDM4ETSHRNTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109908149-A | Medical usage of the 2- hypoxanthine ethyl thioglycollic acid derivative in Killing Mycobacterium Tuberculosis infection | 中国药科大学 | 2019-06-21 | — | — | CN | disclosed |