Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | SOD1 | P00441 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7069576 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6924355 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL7126390 | 0.83 | DAO (0.49) | ALDH1A1TSHRMAPTDAOMEN1 | |
| SCHEMBL31121618 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA | |
| SCHEMBL28940138 | 0.75 | SMN1; SMN2 (0.57) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6923000 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL20569271 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL6926049 | 0.71 | HSD17B10 (0.57) | ALDH1A1TSHRMAPTDAOMEN1 | |
| SCHEMBL7068426 | 0.70 | MTNR1A (0.43) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL669513 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |