Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL31186401 | 0.91 | ALDH1A1 (0.62) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL8402762 | 0.91 | ALDH1A1 (0.62) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL27811836 | 0.85 | ALDH1A1 (0.45) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL27364024 | 0.85 | METAP2 (0.48) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL1129436 | 0.84 | HNF4A (0.52) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL2442872 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL538689 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL10409407 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL30090914 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL11688365 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ALOX15CA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116284216-A | Aromatic dipeptide functionalized sulfhydryl compound and preparation method and application thereof | 华能武汉发电有限责任公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116284216-A | Aromatic dipeptide functionalized sulfhydryl compound and preparation method and application thereof | 华能武汉发电有限责任公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116284216-A | Aromatic dipeptide functionalized sulfhydryl compound and preparation method and application thereof | 华能武汉发电有限责任公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-113527545-B | Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof | 北京理工大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-113527545-A | Beta-cyclodextrin polyrotaxane with accurate insertion amount, preparation method and application thereof | 北京理工大学 | 2021-10-22 | — | — | CN | disclosed |