Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ACP1 | P24666 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | C1R | P00736 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375200 | 1.00 | BACE1 (0.64) | BACE1ALDH1A1ACP1L3MBTL1ADORA2A | |
| SCHEMBL24188627 | 0.82 | ESR1 (0.47) | BACE1ALDH1A1ELANECYP1A2CYP2C19 | |
| SCHEMBL1042318 | 0.80 | HSD17B3 (0.45) | BACE1ALDH1A1GAAMAPTESR1 | |
| SCHEMBL3300391 | 0.79 | BACE1 (0.66) | BACE1ALDH1A1ACP1ADORA2AADORA1 | |
| SCHEMBL7226633 | 0.79 | HPGD (0.47) | BACE1ALDH1A1L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL4116547 | 0.78 | BACE1 (1.00) | BACE1ALDH1A1ACP1C1RCYP1A2 | |
| SCHEMBL2335294 | 0.78 | BACE1 (0.64) | BACE1ALDH1A1ACP1L3MBTL1ADORA2A | |
| SCHEMBL895250 | 0.78 | BACE1 (0.64) | BACE1ALDH1A1ACP1L3MBTL1C1R | |
| SCHEMBL30449773 | 0.78 | BACE1 (0.64) | BACE1ALDH1A1ACP1L3MBTL1C1R | |
| SCHEMBL19117639 | 0.78 | BACE1 (0.64) | BACE1ALDH1A1ACP1L3MBTL1CYP1A2 |
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-118451067-A | DNA polymerase theta inhibitor and application thereof | 上海湃隆生物科技有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-112969504-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-04-09 | — | — | CN | disclosed |