Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.68 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR1B | P28222 | 9/20 | 0.53 |
| ▸ | HTR1A | P08908 | 9/20 | 0.53 |
| ▸ | HTR1D | P28221 | 8/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.48 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17211929 | 0.95 | HTR2A (0.65) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL14907368 | 0.95 | HTR2A (0.65) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL14893171 | 0.94 | HTR2A (0.64) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL14961122 | 0.93 | HTR2A (0.70) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL14961154 | 0.90 | HTR2A (0.54) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL17211924 | 0.85 | HTR2A (0.51) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL14961082 | 0.85 | HTR2A (0.51) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL12596305 | 0.84 | HTR6 (0.70) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL14961008 | 0.83 | HTR2A (0.55) | HTR2AHTR2CHTR1BHTR1AHTR1D | |
| SCHEMBL29728139 | 0.81 | HTR2A (1.00) | HTR2AHTR2CHTR1BHTR1AHTR1D |
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-2013063492-A1 | NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-05-02 | — | — | WO | disclosed |