Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.62 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6562809 | 0.89 | TAAR1 (0.75) | TAAR1SHBGESR1ESR2NPC1 | |
| Hydrochloric Acid SCHEMBL6563360 | 0.87 | TAAR1 (0.71) | TAAR1SHBGESR1ESR2NPC1 | |
| SCHEMBL5877849 | 0.82 | TAAR1 (0.65) | TAAR1APPNPC1MAPTRAB9A | |
| SCHEMBL10961852 | 0.82 | TAAR1 (0.65) | TAAR1SHBGESR1ESR2NPC1 | |
| SCHEMBL8350486 | 0.80 | TAAR1 (0.62) | TAAR1SHBGESR1ESR2NPC1 | |
| SCHEMBL10574062 | 0.80 | TAAR1 (0.62) | TAAR1SHBGESR1ESR2NPC1 | |
| SCHEMBL3703684 | 0.79 | TAAR1 (0.40) | TAAR1APPSHBGESR1ESR2 | |
| SCHEMBL13256271 | 0.79 | TAAR1 (0.40) | TAAR1APPCYP3A4IDO1 | |
| SCHEMBL3703681 | 0.79 | TAAR1 (0.40) | TAAR1APPSHBGESR1ESR2 | |
| SCHEMBL13256272 | 0.79 | TAAR1 (0.40) | TAAR1APPCYP3A4IDO1 |
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-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |