Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | HTR7 | P34969 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL519878 | 0.86 | HTR1A (0.72) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Tert-Butyl Formate SCHEMBL27714034 | 0.85 | SIRT6 (0.71) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Hydrochloric Acid SCHEMBL1364478 | 0.85 | HTR1A (0.70) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Tert-Butyl Formate SCHEMBL28785120 | 0.83 | ADRB1 (0.50) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Tert-Butyl Formate SCHEMBL28956341 | 0.82 | MAPT (0.57) | ADRB1SIRT6MAPTCYP1A2CYP2C9 | |
| Tert-Butyl Formate SCHEMBL27721029 | 0.81 | ADRB1 (0.51) | HTR1AHTR7ADRB1MAPTHTR3E | |
| SCHEMBL2232414 | 0.81 | HTR1A (0.65) | HTR1AHTR7ADRB1SIRT6MAPT | |
| Tert-Butyl Formate SCHEMBL27824904 | 0.80 | ADRB1 (0.50) | HTR1AHTR7ADRB1MAPTHTR3E | |
| Tert-Butyl Formate SCHEMBL27836119 | 0.80 | ADRB1 (0.50) | HTR1AHTR7ADRB1MAPTHTR3E | |
| Tert-Butyl Formate SCHEMBL28048661 | 0.80 | ADRB1 (0.50) | HTR1AHTR7ADRB1MAPTHTR3E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104837835-A | VEGFR3 inhibitors | CANCER THERAPEUTICS CRC PTY LTD | 2015-08-12 | — | — | CN | disclosed |