Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.51 |
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.42 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12449581 | 0.86 | MCHR1 (0.49) | SIGMAR1DRD4TMEM97PIK3CDPIK3R2 | |
| SCHEMBL18082557 | 0.85 | TMEM97 (0.48) | SIGMAR1DRD4TMEM97ACHEBACE1 | |
| SCHEMBL18082551 | 0.80 | LTA4H (0.55) | SIGMAR1DRD4TMEM97ACHEBACE1 | |
| SCHEMBL12449566 | 0.77 | MEN1 (0.43) | SIGMAR1DRD4TMEM97PIK3CDPIK3R2 | |
| SCHEMBL25108513 | 0.76 | ALDH1A1 (0.54) | SIGMAR1DRD4TMEM97ACHEALDH1A1 | |
| SCHEMBL2608879 | 0.75 | PRMT5 (0.58) | DRD4ACHEBACE1BCHEALDH1A1 | |
| SCHEMBL18270428 | 0.75 | HRH3 (0.33) | SIGMAR1PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL25481439 | 0.74 | ALDH1A1 (0.43) | SIGMAR1DRD4TMEM97ACHEATM | |
| SCHEMBL12082512 | 0.73 | ALDH1A1 (0.56) | ACHEBACE1ALDH1A1LMNAPOLB | |
| SCHEMBL13285981 | 0.71 | SIGMAR1 (0.62) | SIGMAR1DRD4TMEM97ACHEBACE1 |
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-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |