Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CAD | P27708 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28311214 | 0.84 | HCAR2 (0.33) | ALDH1A1TSHRSMN1; SMN2LMNAKDM4E | |
| SCHEMBL20838333 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL7601775 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL26124111 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL28440230 | 0.80 | — | — | |
| SCHEMBL1194168 | 0.80 | SOAT1 (0.41) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL1564967 | 0.80 | SOAT1 (0.41) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL24820401 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL1968575 | 0.79 | RXFP1 (0.39) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL2235900 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHRGAAMGAMSI |
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-110041330-B | Environment-friendly preparation method of istradefylline | 新发药业有限公司 | 2020-08-11 | — | — | CN | disclosed |