Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28979971 | 0.98 | TDP1 (0.44) | TDP1HSD17B10CES2CES1SMN1; SMN2 | |
| SCHEMBL6141432 | 0.91 | — | — | |
| SCHEMBL424405 | 0.83 | SMN1; SMN2 (0.40) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL776393 | 0.82 | CES2 (0.46) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12517329 | 0.82 | CES2 (0.46) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3483420 | 0.82 | SMN1; SMN2 (0.48) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13908821 | 0.81 | TDP1 (0.34) | TDP1HSD17B10SMN1; SMN2HTTKMT2A | |
| SCHEMBL776566 | 0.81 | CES2 (0.55) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL248821 | 0.81 | CES2 (0.55) | TDP1CES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11862575 | 0.81 | CES2 (0.55) | TDP1CES2CES1SMN1; SMN2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115724797-A | Fluoroalkylated 3, 4-polysubstituted dihydroisoquinoline skeleton novel compound and preparation method thereof | 兰州大学 | 2023-03-03 | — | — | CN | disclosed |
| EP-0008299-B1 | POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO | PHILIP MORRIS INCORPORATED (US) | 1983-04-13 | — | — | EP | disclosed |
| EP-0008299-A4 | POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO. | PHILIP MORRIS INC (US) | 1980-09-29 | — | — | EP | disclosed |
| EP-0008299-A1 | POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO. | PHILIP MORRIS INC (US) | 1980-02-20 | — | — | EP | disclosed |
| US-4171702-A | Poly (isopropenyl esters) as carboxylic acid-release agents on tobacco | PHILIP MORRIS INCORPORATED (US) | 1979-10-23 | — | — | US | disclosed |
| WO-1979000488-A1 | POLY(ISOPROPENYL ESTERS)AS CARBOXYLIC ACID-RELEASE AGENTS ON TO-BACCO | PHILIP MORRIS INC (US) | 1979-07-26 | — | — | WO | disclosed |