Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.66 |
| ▸ | HTR1D | P28221 | 8/20 | 0.66 |
| ▸ | HTR1B | P28222 | 8/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.59 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL14907340 | 1.00 | HTR1A (0.66) | HTR1AHTR1DHTR1BMAPTMAPK1 | |
| SCHEMBL8626639 | 0.95 | HTR1A (0.59) | HTR1AHTR1DHTR1BMAPTMAPK1 | |
| SCHEMBL8624581 | 0.92 | MTNR1A (0.57) | HTR1AHTR1DHTR1BMAPTMAPK1 | |
| SCHEMBL8629672 | 0.92 | MTNR1A (0.65) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL8626837 | 0.91 | HTR1A (0.65) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL8881982 | 0.91 | MTNR1A (0.58) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL8880875 | 0.90 | MTNR1A (0.59) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL8624381 | 0.90 | HTR1A (0.63) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL8880324 | 0.89 | MTNR1A (0.60) | HTR1AHTR1DHTR1BTDP1KDM4E | |
| SCHEMBL2536092 | 0.89 | MTNR1A (0.55) | HTR1AHTR1DHTR1BMAPTMAPK1 |
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 |