Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11454677 | 0.98 | ALDH1A1 (0.44) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL28750160 | 0.98 | ALDH1A1 (0.44) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL22570410 | 0.84 | NPSR1 (0.44) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL28442092 | 0.84 | BACE1 (0.41) | SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9 | |
| SCHEMBL28542823 | 0.81 | NPSR1 (0.41) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL4467640 | 0.80 | NPSR1 (0.44) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL9297162 | 0.80 | NPSR1 (0.44) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL28421146 | 0.79 | SMN1; SMN2 (0.47) | ALDH1A1GLATSHRNPSR1RAB9A | |
| SCHEMBL28336709 | 0.79 | POLB (0.44) | ALDH1A1TSHRNPSR1SMN1; SMN2KMT2A | |
| SCHEMBL28217153 | 0.78 | NPSR1 (0.43) | ALDH1A1GLATSHRNPSR1RAB9A |
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-104387440-A | Betulin amino-acid ester compound, and preparation method and application thereof | SHANGHAI INST TECHNOLOGY | 2015-03-04 | — | — | CN | disclosed |