Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29581269 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2RXFP1RAB9A | |
| SCHEMBL31474217 | 0.75 | ROCK2 (0.44) | ALDH1A1HTTSMN1; SMN2RXFP1RAB9A | |
| SCHEMBL29581702 | 0.73 | MAPT (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E | |
| SCHEMBL29915220 | 0.73 | MAOA (0.38) | HTTKMT2AMAPK1MAPTKDM4E | |
| SCHEMBL28895140 | 0.73 | MAPT (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTKDM4E | |
| SCHEMBL25218349 | 0.73 | MAOA (0.38) | HTTKMT2AMAPK1MAPTKDM4E | |
| SCHEMBL3624177 | 0.70 | KCNJ1 (0.60) | ALDH1A1HTTSMN1; SMN2RAB9AKMT2A | |
| SCHEMBL8318552 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HTTIDO1KMT2AMEN1 | |
| SCHEMBL13292077 | 0.68 | PTPRC (0.52) | ALDH1A1HTTIDO1KMT2AMEN1 | |
| SCHEMBL1684401 | 0.67 | ALDH1A1 (0.54) | ALDH1A1HTTSMN1; SMN2RAB9AKMT2A |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |