Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28337354 | 0.81 | CYP1A2 (0.39) | TDP1PDK1CYP1A2KMT2AATM | |
| SCHEMBL28240034 | 0.80 | TDP1 (0.48) | TDP1PDK1CYP1A2NPC1RAB9A | |
| SCHEMBL2803959 | 0.78 | CYP1A2 (0.39) | TDP1PDK1CYP1A2KMT2AATM | |
| SCHEMBL3006053 | 0.76 | TSHR (0.51) | PDK1CYP1A2KMT2AATMNPC1 | |
| SCHEMBL3014357 | 0.76 | NPC1 (0.51) | TDP1PDK1CYP1A2KMT2AATM | |
| SCHEMBL28256134 | 0.73 | TDP1 (0.61) | TDP1CYP1A2ATMCYP3A4CYP2C19 | |
| SCHEMBL28964217 | 0.73 | CYP1A2 (0.54) | TDP1PDK1CYP1A2NPC1RAB9A | |
| SCHEMBL19182459 | 0.72 | CYP1A2 (0.53) | TDP1PDK1CYP1A2MAPTHTT | |
| SCHEMBL28343885 | 0.72 | TDP1 (0.43) | TDP1PDK1CYP1A2KMT2ANPC1 | |
| SCHEMBL31046181 | 0.71 | KMT2A (0.59) | KMT2ANPC1RAB9ACYP3A4CYP2D6 |
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-118161560-A | External powder for treating acute eczema and preparation method thereof | 湖北中医药大学 | 2024-06-11 | — | — | CN | disclosed |
| CN-116077381-A | Skin care composition, tissue and preparation method thereof | 蒋世东 | 2023-05-09 | — | — | CN | disclosed |
| CN-114480208-A | Direct-vat probiotic starter for relieving immune diseases and application thereof | 微康益生菌(苏州)股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-113893212-A | Traditional Chinese medicine mask for resisting inflammation and relieving itching and preparation method thereof | 合江妙灵中药材开发有限公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-112494374-A | Hair loss prevention shampoo and preparation method and application method thereof | 上海章华保健化妆品有限公司 | 2021-03-16 | — | — | CN | disclosed |