Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | QDPR | P09417 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ESRRB | O95718 | 2/20 | 0.41 |
| ▸ | ESRRG | P62508 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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-Butyl Formate SCHEMBL28123133 | 0.99 | HTR2C (0.43) | HTR2CQDPRESR2SLC18A3SIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27905556 | 0.86 | DEGS1 (0.58) | — | |
| Tert-Butyl Formate SCHEMBL27318173 | 0.85 | HTR2C (0.44) | HTR2CQDPRSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL28096252 | 0.85 | HTR3A (0.53) | HTR2CSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL28014693 | 0.85 | HTR2C (0.44) | HTR2CQDPRSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL27562128 | 0.85 | HTR2C (0.47) | HTR2CSLC18A3SIGMAR1KCNH2TDP1 | |
| Tert-Butyl Formate SCHEMBL27950764 | 0.85 | HTR2C (0.44) | HTR2CQDPRSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL27488567 | 0.85 | SLC18A3 (0.62) | HTR2CSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL27674583 | 0.85 | HTR2C (0.41) | HTR2CQDPRESR2SLC18A3SIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27487857 | 0.83 | HTR2C (0.49) | HTR2CQDPRSLC18A3SIGMAR1 |
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-106536524-B | For [1,2,4] triazol [4,3-B] pyridazine used in the treatment in proliferative diseases | 阿斯利康(瑞典)有限公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106061961-B | Selective N R2B antagonist | 百时美施贵宝公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-106470989-A | Thiophene 2 yl pyridines 2 base 1H pyrazoles 4 formic acid derivates and its purposes as soluble guanylate cyclase activators | 诺华股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-103596941-B | Anti-viral compounds | ABBVIE INC | 2015-07-08 | — | — | CN | disclosed |
| CN-103596941-A | Anti-viral compounds | ABBVIE INC | 2014-02-19 | — | — | CN | disclosed |
| CN-103221408-A | Triazine-oxadiazole compounds | NOVARTIS AG | 2013-07-24 | — | — | CN | disclosed |
| CN-1921863-A | Immunosuppressant compounds and compositions | IRM LLC (BM) | 2007-02-28 | — | — | CN | disclosed |