Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 6/20 | 0.48 |
| ▸ | TACR1 | P25103 | 8/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL631479 | 0.90 | TACR3 (0.54) | TACR3TACR1TP53CYP3A4MAPT | |
| SCHEMBL631478 | 0.90 | TACR3 (0.54) | TACR3TACR1TP53CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL630984 | 0.89 | TACR3 (0.54) | TACR3TACR1TP53CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL630985 | 0.89 | TACR3 (0.54) | TACR3TACR1TP53CYP3A4MAPT | |
| SCHEMBL632375 | 0.85 | TACR3 (0.49) | TACR3TACR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL632085 | 0.81 | TACR3 (0.53) | TACR3TACR1CCR2CCR5 | |
| SCHEMBL632360 | 0.81 | TACR3 (0.47) | TACR3TACR1CCR2CCR5 | |
| SCHEMBL631301 | 0.81 | PLD2 (0.49) | TACR3TACR1TP53CYP3A4MAPT | |
| SCHEMBL632205 | 0.80 | TACR3 (0.48) | TACR3TACR1CCR2CCR5 | |
| SCHEMBL631277 | 0.80 | TACR3 (0.54) | TACR3TACR1TACR2CCR2F11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2099806-B1 | SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-02-22 | — | — | EP | disclosed |