Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | APEX1 | P27695 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | KMO | O15229 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3953437 | 0.84 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL16858233 | 0.80 | KMO (0.72) | ALDH1A1KMT2AMEN1TDP1RAB9A | |
| SCHEMBL6611772 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL15354269 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL11183749 | 0.78 | ATM (0.74) | ALDH1A1KMT2AMEN1TDP1RAB9A | |
| Biphenyl SCHEMBL27509753 | 0.76 | CES2 (0.58) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL133400 | 0.76 | ATM (0.71) | ALDH1A1KMT2AMEN1TDP1RAB9A | |
| SCHEMBL8438374 | 0.76 | ATM (0.77) | ALDH1A1KMT2AMEN1RECQLTDP1 | |
| SCHEMBL28877092 | 0.75 | KMT2A (0.61) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL29029980 | 0.75 | KMT2A (0.85) | ALDH1A1KMT2AMEN1POLBTHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111961106-B | Ouabain sugar ring 3' hydroxyl derivative, preparation method and application thereof | 四川大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-111961106-A | Ouabain sugar ring 3' position hydroxyl derivative and its preparation method and use | 四川大学 | 2020-11-20 | — | — | CN | disclosed |