Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14634750 | 0.99 | TACR3 (0.49) | TACR3CYP1A2KDM4EHTR2AHTR2C | |
| SCHEMBL106779 | 0.79 | TACR3 (0.52) | TACR3CYP1A2NPC1 | |
| Hydrochloric Acid SCHEMBL2565514 | 0.78 | TACR3 (0.51) | TACR3CYP1A2NPC1 | |
| Hydrochloric Acid SCHEMBL2565311 | 0.76 | TACR3 (0.48) | TACR3CYP1A2KDM4EHTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL2560610 | 0.76 | P2RX7 (0.40) | TACR3HTR2AHTR2C | |
| SCHEMBL706557 | 0.75 | HPGD (0.56) | TACR3KDM4EHTR2AHTR2CGSK3B | |
| SCHEMBL16291433 | 0.74 | TACR3 (0.59) | TACR3CYP1A2MIF | |
| Hydrochloric Acid SCHEMBL2562060 | 0.74 | PDCD1 (0.44) | TACR3HTR2AHTR2CMAP3K5GSK3B | |
| Hydrochloric Acid SCHEMBL2562382 | 0.73 | TACR3 (0.46) | TACR3CYP1A2HTR2AHTR2CHTR3A | |
| SCHEMBL16027876 | 0.72 | P2RX7 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552920-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | Euroscreen S.A. (BE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121137-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | EUROSCREEN S.A. (BE) | 2011-10-06 | — | — | WO | disclosed |