Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL27324626 | 0.86 | MAPT (0.54) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Tert-Butylbenzene SCHEMBL27919060 | 0.86 | MAPT (0.54) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Methacrylic Acid SCHEMBL3736583 | 0.85 | KMT2A (0.45) | MAPTKMT2ACYP2C19HIF1AHDAC1 | |
| Tert-Butylbenzene SCHEMBL28641423 | 0.84 | MAPT (0.52) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Tert-Butylbenzene SCHEMBL27449728 | 0.84 | MAPT (0.56) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Methacrylic Acid SCHEMBL1596758 | 0.82 | ALDH1A1 (0.50) | MAPTKMT2ATDP1CYP2C19HIF1A | |
| Methacrylic Acid SCHEMBL27554889 | 0.82 | MAPK1 (0.65) | MAPTKMT2ATDP1CYP2C19HIF1A | |
| Tert-Butylbenzene SCHEMBL27327555 | 0.81 | MAPK1 (0.48) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Trifluoromethylbenzene SCHEMBL28603020 | 0.81 | ALDH1A1 (0.58) | MAPTKMT2ASRD5A2RAB9ALMNA | |
| Tert-Butylbenzene SCHEMBL309340 | 0.81 | LMNA (0.55) | MAPTKMT2ATDP1L3MBTL1CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115322100-A | Delta, epsilon-alkenyl ketone compound and preparation method and application thereof | 南京工业大学 | 2022-11-11 | — | — | CN | claimed |
| CN-113200856-A | Trifluoromethyl propylene compound and preparation method and application thereof | 南京工业大学 | 2021-08-03 | — | — | CN | claimed |
| CN-117185965-A | Preparation method of sulfonic acrylic acid salt compound surfactant | 安徽金桐精细化学有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-115850076-A | Method for introducing difluoromethylene into allyl ester compound aromatic ring | 南京工业大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-115490592-A | Method for constructing 1, 4-diene drug molecular skeleton | 南京工业大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-115322100-A | Delta, epsilon-alkenyl ketone compound and preparation method and application thereof | 南京工业大学 | 2022-11-11 | — | — | CN | disclosed |
| CN-113200856-B | Trifluoromethyl propylene compound and preparation method and application thereof | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113200856-A | Trifluoromethyl propylene compound and preparation method and application thereof | 南京工业大学 | 2021-08-03 | — | — | CN | disclosed |