Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CTSS | P25774 | 6/20 | 0.50 |
| ▸ | CTSK | P43235 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5921648 | 0.85 | MEN1 (0.55) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL12189910 | 0.85 | MEN1 (0.51) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL4317103 | 0.84 | MEN1 (0.59) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL28660723 | 0.84 | MEN1 (0.59) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL8977043 | 0.84 | MEN1 (0.54) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL15997199 | 0.83 | MEN1 (0.51) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL31325605 | 0.83 | MEN1 (0.65) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL28888489 | 0.81 | KMT2A (0.58) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL9435405 | 0.81 | KMT2A (0.58) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL26523430 | 0.81 | MEN1 (0.50) | MEN1GAAKMT2ACTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |