Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 3/20 | 0.35 |
| ▸ | ITK | Q08881 | 3/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL22703062 | 0.81 | HRH3 (0.53) | HRH3TAAR1ACHE | |
| SCHEMBL15417763 | 0.79 | HRH3 (0.45) | HRH3ALDH1A1TSHRLTA4HTAAR1 | |
| SCHEMBL19968180 | 0.77 | KDM1A (0.47) | ALDH1A1TAAR1ACHE | |
| SCHEMBL659509 | 0.75 | HRH3 (0.82) | HRH3ALDH1A1TSHRTAAR1ACHE | |
| SCHEMBL20364259 | 0.72 | HRH3 (0.50) | HRH3ALDH1A1TSHRLTA4HTAAR1 | |
| SCHEMBL24292361 | 0.71 | HRH3 (0.49) | HRH3ALDH1A1TSHRLTA4HTAAR1 | |
| SCHEMBL18379624 | 0.71 | HRH3 (0.48) | HRH3ALDH1A1TSHRLTA4HTAAR1 | |
| SCHEMBL3673574 | 0.69 | HTR2A (0.52) | ALDH1A1ACHE | |
| SCHEMBL25322649 | 0.68 | HRH3 (0.41) | HRH3ALDH1A1TSHRLTA4HTAAR1 | |
| SCHEMBL8385912 | 0.68 | ESR2 (0.53) | HRH3ALDH1A1TSHRLTA4HTAAR1 |
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-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |