Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | OXTR | P30559 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27881874 | 0.75 | LMNA (0.59) | ALDH1A1KDM4ELMNANPSR1TDP1 | |
| SCHEMBL7646098 | 0.73 | S1PR1 (0.66) | DPP4ALDH1A1ADORA3ADORA1HPGD | |
| SCHEMBL28147437 | 0.71 | ADORA2A (0.68) | DPP4ALDH1A1ADORA3ADORA1HPGD | |
| SCHEMBL28293678 | 0.70 | ADORA3 (0.46) | ALDH1A1ADORA3ADORA1HPGDKDM4E | |
| SCHEMBL4429243 | 0.70 | TEK (0.60) | ALDH1A1KDM4ELMNANPSR1TDP1 | |
| SCHEMBL31060133 | 0.70 | ADORA3 (0.65) | DPP4ALDH1A1ADORA3ADORA1HPGD | |
| SCHEMBL5082102 | 0.70 | TEK (0.60) | ALDH1A1KDM4ELMNANPSR1TDP1 | |
| SCHEMBL13161387 | 0.68 | DPP4 (0.52) | DPP4ALDH1A1ADORA3ADORA1HPGD | |
| SCHEMBL6362990 | 0.68 | NPSR1 (0.61) | ALDH1A1ADORA1HPGDKDM4ELMNA | |
| SCHEMBL18493228 | 0.68 | ALDH1A1 (0.57) | ALDH1A1ADORA1HPGDNPSR1OXTR |
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-109651370-A | A kind of purine analog derivative free radical precursor molecule and preparation method thereof | 桂林理工大学 | 2019-04-19 | — | — | CN | disclosed |