Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Baicalein. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREB1 | P16220 | 6/20 | 0.86 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.86 |
| ▸ | PTPRS | Q13332 | 4/20 | 0.86 |
| ▸ | GABRP | O00591 | 3/20 | 0.86 |
| ▸ | GABRD | O14764 | 3/20 | 0.86 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.86 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.86 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.86 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.86 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.86 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.86 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.86 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.86 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.86 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.86 |
| ▸ | GABRE | P78334 | 3/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.86 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.86 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.86 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Baicalein SCHEMBL29200817 | 0.95 | CREB1 (0.82) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28365951 | 0.93 | ABCB1 (0.94) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL29385549 | 0.93 | ABCB1 (1.00) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL5695785 | 0.93 | ABCB1 (1.00) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL139617 | 0.93 | ABCB1 (1.00) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28372093 | 0.92 | ABCB1 (0.97) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28826034 | 0.92 | ABCB1 (0.97) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28087999 | 0.92 | ABCB1 (0.97) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28630648 | 0.92 | ABCB1 (0.97) | CREB1ABCB1PTPRSGABRPGABRD | |
| Baicalein SCHEMBL28206740 | 0.92 | ABCB1 (0.97) | CREB1ABCB1PTPRSGABRPGABRD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105930-B | Short rod-shaped MPN material based on coordination of baicalein and copper ions, and preparation method and application thereof | 中国医学科学院基础医学研究所 | 2024-05-10 | — | — | CN | claimed |
| CN-111643726-B | Method for improving platelet activation resisting function of polyurethane material | 东南大学 | 2022-03-29 | — | — | CN | claimed |
| CN-111643726-A | Method for improving platelet activation resisting function of polyurethane material | 东南大学 | 2020-09-11 | — | — | CN | claimed |
| CN-114306631-B | Composite nano particle based on rice protein zymolyte and preparation method and application thereof | 齐鲁工业大学 | 2024-07-16 | — | — | CN | disclosed |
| CN-114105930-B | Short rod-shaped MPN material based on coordination of baicalein and copper ions, and preparation method and application thereof | 中国医学科学院基础医学研究所 | 2024-05-10 | — | — | CN | disclosed |
| CN-116332998-A | Platinum complex and preparation and application thereof | 华东理工大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-114306631-A | Composite nano particle based on rice protein zymolyte and preparation method and application thereof | 齐鲁工业大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-111643726-B | Method for improving platelet activation resisting function of polyurethane material | 东南大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-114105930-A | Short rod-shaped MPN material based on coordination of baicalein and copper ions and preparation method and application thereof | 中国医学科学院基础医学研究所 | 2022-03-01 | — | — | CN | disclosed |
| CN-111643726-A | Method for improving platelet activation resisting function of polyurethane material | 东南大学 | 2020-09-11 | — | — | CN | disclosed |