Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 4/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29964358 | 1.00 | NOTUM (0.36) | NOTUMPNMTPARP1PARP10TDP2 | |
| SCHEMBL28179870 | 0.86 | PARP1 (0.38) | PNMTPARP1PARP10TDP2HTR2A | |
| SCHEMBL28061563 | 0.77 | KIF11 (0.46) | TDP2KIF11 | |
| SCHEMBL9573203 | 0.76 | CYP19A1 (0.33) | NOTUMPARP1PARP10KMT2A | |
| SCHEMBL30074109 | 0.74 | PNMT (0.39) | NOTUMPNMTPARP1PARP10TDP2 | |
| SCHEMBL3863140 | 0.72 | CASP1 (0.37) | MEN1KMT2A | |
| SCHEMBL29769963 | 0.72 | CASP1 (0.37) | MEN1KMT2A | |
| SCHEMBL30025550 | 0.72 | ADRA2A (0.34) | NOTUMPARP1PARP10POLB | |
| SCHEMBL17288395 | 0.72 | NOTUM (0.38) | NOTUMPNMTPARP1PARP10TDP2 | |
| SCHEMBL28191945 | 0.72 | — | — |
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-112094229-B | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-112094229-A | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2020-12-18 | — | — | CN | claimed |
| CN-112094229-B | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-112094229-A | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-105764905-B | Novel octahydro-cyclobutadieno [1, 2-c; 3, 4-c' ] dipyrrole-2-yl | 豪夫迈·罗氏有限公司 | 2019-06-07 | — | — | CN | disclosed |
| CN-109641836-A | Fluorinated 2- amino -4- (substituted amino) carbanilate derivative | 赛弗卢尔生命科学公司 | 2019-04-16 | — | — | CN | disclosed |