Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1970012 | 0.78 | RAB9A (0.44) | ALDH1A1SRD5A2NPC1RAB9AHPGD | |
| SCHEMBL10939397 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SRD5A2NPC1RAB9AMAPT | |
| SCHEMBL1970017 | 0.73 | HTT (0.45) | ALDH1A1NPC1RAB9ACES2L3MBTL1 | |
| SCHEMBL31081586 | 0.73 | CNR2 (0.66) | ALDH1A1SRD5A2NPC1RAB9ACNR2 | |
| SCHEMBL3660211 | 0.73 | CNR2 (0.71) | ALDH1A1SRD5A2CNR2CNR1GLA | |
| SCHEMBL1781341 | 0.72 | SRD5A2 (0.77) | ALDH1A1SRD5A2NPC1RAB9ACNR2 | |
| SCHEMBL1044812 | 0.72 | SRD5A2 (0.83) | SRD5A2CNR2CNR1CES2LMNA | |
| SCHEMBL8977549 | 0.71 | SRD5A2 (0.60) | ALDH1A1SRD5A2CNR2CNR1HPGD | |
| SCHEMBL11645660 | 0.70 | AURKA (0.57) | ALDH1A1NPC1RAB9AHPGDP2RX1 | |
| SCHEMBL24611536 | 0.69 | ALDH1A1 (0.45) | ALDH1A1SRD5A2NPC1RAB9ACNR2 |
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-118756156-A | Method for preparing deuterated cyclic compound | 无锡绿能电合科技有限公司 | 2024-10-11 | — | — | CN | disclosed |