Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | COMT | P21964 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | IDE | P14735 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | ALPG | P10696 | 1/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29363198 | 1.00 | TTR (0.75) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL6242 | 1.00 | TTR (0.75) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL10725694 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL11322620 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL2290618 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| Ammonia Solution, Strong SCHEMBL25312340 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL127423 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL599986 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL599164 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB | |
| SCHEMBL3820090 | 0.97 | TTR (0.72) | TTRCYP1A2CDK2AURKAAURKB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118973577-A | Apostistin for the treatment of multiple system atrophy | 施万生物制药研发IP有限责任公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-115813923-A | Compounds for the treatment of neurogenic orthostatic hypotension | 施万生物制药研发IP有限责任公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115770244-A | Compounds for the treatment of neurogenic orthostatic hypotension | 施万生物制药研发IP有限责任公司 | 2023-03-10 | — | — | CN | disclosed |