Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27518864 | 0.79 | FAAH (0.43) | TDP1CYP3A4PSIP1HTR6FAAH | |
| SCHEMBL27722081 | 0.79 | CA2 (0.43) | CA1CA2CA5ACA9 | |
| SCHEMBL8934009 | 0.79 | TSHR (0.38) | TDP1ALDH1A1CYP3A4PSIP1HTR6 | |
| SCHEMBL8773423 | 0.78 | TSHR (0.37) | TDP1ALDH1A1CYP3A4PSIP1CA1 | |
| Fluoride SCHEMBL27518867 | 0.78 | TSHR (0.37) | TDP1ALDH1A1CYP3A4PSIP1CA1 | |
| Hydrochloric Acid SCHEMBL27537336 | 0.78 | TSHR (0.37) | TDP1ALDH1A1CYP3A4PSIP1CA1 | |
| SCHEMBL8773545 | 0.78 | PSIP1 (0.39) | TDP1ALDH1A1HSD17B10CYP3A4PSIP1 | |
| SCHEMBL8773420 | 0.78 | CA12 (0.41) | TDP1ALDH1A1CYP3A4CA2CA9 | |
| SCHEMBL9806656 | 0.74 | CYP3A4 (0.45) | TDP1ALDH1A1CYP3A4 | |
| SCHEMBL10595565 | 0.74 | CYP3A4 (0.45) | TDP1ALDH1A1CYP3A4 |
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-105431422-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2019-08-30 | — | — | CN | disclosed |
| CN-109456324-A | New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-12 | — | — | CN | disclosed |
| CN-109153643-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2019-01-04 | — | — | CN | disclosed |
| CN-109071562-A | Condensed 1,4- oxygen azepine * and related analogs as BET bromine structural domain inhibitor | 密执安大学评议会 | 2018-12-21 | — | — | CN | disclosed |
| CN-105431422-A | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | SERVIER LAB | 2016-03-23 | — | — | CN | disclosed |