Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 5/20 | 0.32 |
| ▸ | CPB1 | P15086 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | CPA1 | P15085 | 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 | 0.81 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53TSHRKDM4ECPB2 | |
| Purine SCHEMBL8066127 | 0.80 | SMN1; SMN2 (0.37) | SMN1; SMN2TP53TSHRKDM4ECPB2 | |
| Purine SCHEMBL21998271 | 0.80 | SMN1; SMN2 (0.37) | SMN1; SMN2TP53TSHRKDM4ECPB2 | |
| Purine SCHEMBL28299820 | 0.80 | SMN1; SMN2 (0.39) | SMN1; SMN2TP53TSHRKDM4ECPB2 | |
| Purine SCHEMBL28724547 | 0.80 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53TSHRKDM4ECPB2 | |
| Purine SCHEMBL19809958 | 0.79 | ALDH1A1 (0.39) | SMN1; SMN2TP53TSHRKDM4EHSD17B10 | |
| Purine SCHEMBL29465224 | 0.79 | ALDH1A1 (0.39) | SMN1; SMN2TSHRKDM4ENTRK1RXFP1 | |
| Purine SCHEMBL28164598 | 0.79 | ALDH1A1 (0.44) | TP53KDM4EHSD17B10RXFP1ALDH1A1 | |
| Purine SCHEMBL28325655 | 0.79 | ALDH1A1 (0.38) | SMN1; SMN2TP53TSHRKDM4EHSD17B10 | |
| Purine SCHEMBL16671776 | 0.78 | TBXAS1 (0.36) | SMN1; SMN2TSHRKDM4EHSD17B10RXFP1 |
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 |