Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 5/20 | 0.47 |
| ▸ | DRD4 | P21917 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27132658 | 0.86 | KDM4E (0.46) | ALDH1A1CNR2DRD4CNR1BCHE | |
| SCHEMBL16007596 | 0.86 | DRD4 (0.58) | CNR2DRD4CNR1 | |
| SCHEMBL27038447 | 0.86 | KDM4E (0.46) | ALDH1A1CNR2DRD4CNR1BCHE | |
| SCHEMBL724263 | 0.85 | DRD4 (0.61) | CNR2DRD4CNR1ACHEKDM1A | |
| SCHEMBL2769599 | 0.85 | DRD4 (0.61) | CNR2DRD4CNR1ACHEKDM1A | |
| SCHEMBL2310082 | 0.85 | DRD4 (0.61) | CNR2DRD4CNR1ACHEKDM1A | |
| Hydrochloric Acid SCHEMBL13277453 | 0.84 | DRD4 (0.60) | CNR2DRD4CNR1ACHEKDM1A | |
| Ammonia Solution, Strong SCHEMBL3510860 | 0.84 | DRD4 (0.60) | CNR2DRD4CNR1ACHEKDM1A | |
| Hydrochloric Acid SCHEMBL13277454 | 0.84 | DRD4 (0.60) | CNR2DRD4CNR1ACHEKDM1A | |
| SCHEMBL12449588 | 0.83 | SIGMAR1 (0.51) | CNR2DRD4MEN1KMT2ACNR1 |
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 |