Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.56 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.47 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18409866 | 0.90 | LTA4H (0.49) | LTA4HCALM1NR3C1CYP3A4SLC5A1 | |
| SCHEMBL11504130 | 0.90 | LTA4H (0.56) | LTA4HCALM1SLC18A3 | |
| SCHEMBL14282659 | 0.86 | SLC18A3 (0.68) | LTA4HCALM1SIGMAR1SLC18A3HRH1 | |
| SCHEMBL11405907 | 0.85 | LTA4H (0.51) | LTA4HCALM1NR3C1CYP3A4SLC5A1 | |
| SCHEMBL12902345 | 0.83 | LSS (0.55) | LTA4HNR3C1CYP3A4SIGMAR1SLC18A3 | |
| SCHEMBL7752419 | 0.82 | MEN1 (0.48) | LTA4HCYP3A4MEN1KMT2ATSHR | |
| SCHEMBL18465883 | 0.80 | LTA4H (0.41) | LTA4HCALM1NR3C1CYP3A4SLC5A1 | |
| SCHEMBL18912310 | 0.80 | LTA4H (0.41) | LTA4HCALM1NR3C1CYP3A4SLC5A1 | |
| SCHEMBL28403839 | 0.80 | CYP3A4 (0.61) | LTA4HCYP3A4SLC5A1SLC5A2SLC18A3 | |
| SCHEMBL4452070 | 0.79 | LTA4H (0.44) | LTA4HCYP3A4KMT2AHRH3RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102149280-B | Deuterated benzylbenzene derivatives and methods of use thereof | 泰拉科斯有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-105237502-A | Processes for the preparation of SGLT2 inhibitors | THERACOS INC | 2016-01-13 | — | — | CN | disclosed |
| CN-102351918-B | Glucopyranosyl-substituted benzonitrile derivatives and pharmaceutical compositions containing the same | BOEHRINGER INGELHEIM INT | 2015-03-04 | — | — | CN | disclosed |
| CN-104334568-A | Preparation method of benzylbenzene sodium-dependent glucose cotransporter 2(SGLT2) inhibitor | THERACOS INC | 2015-02-04 | — | — | CN | disclosed |
| CN-103910702-A | Processes For The Preparation Of Sglt2 Inhibitors | THERACOS INC | 2014-07-09 | — | — | CN | disclosed |
| CN-101010276-B | Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same | CHUGAI PHARMACEUTICAL CO LTD | 2011-01-12 | — | — | CN | disclosed |
| CN-101010276-A | Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2007-08-01 | — | — | CN | disclosed |