Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 2/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092251 | 0.98 | BDKRB1 (0.40) | TACR1TSHRBDKRB1TACR3SCD5 | |
| SCHEMBL378669 | 0.98 | TACR1 (0.41) | TACR1TSHRBDKRB1TACR3SCD5 | |
| SCHEMBL378915 | 0.95 | TSHR (0.43) | TSHRBDKRB1SCD5NPC1SLC6A4 | |
| SCHEMBL379355 | 0.94 | TACR3 (0.41) | TACR1BDKRB1TACR3CYP1A2CYP2C9 | |
| SCHEMBL378830 | 0.91 | BDKRB1 (0.42) | TACR1BDKRB1TACR3CYP1A2CYP2C9 | |
| SCHEMBL13092272 | 0.90 | TACR3 (0.42) | TSHRBDKRB1TACR3SCD5NPC1 | |
| SCHEMBL395363 | 0.89 | THRB (0.43) | TACR1TSHRBDKRB1SCD5CYP2C9 | |
| SCHEMBL13092261 | 0.88 | ALDH1A1 (0.42) | TSHRBDKRB1SCD5SLC6A4ATM | |
| SCHEMBL3714839 | 0.88 | NPC1 (0.49) | TACR1TSHRNPC1CYP2C9CYP2C19 | |
| SCHEMBL7908720 | 0.88 | CTSL (0.42) | TACR1TSHRBDKRB1TACR3SCD5 |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |