Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3747951 | 0.89 | BACE1 (0.43) | BACE1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL27684240 | 0.82 | BACE1 (0.43) | BACE1CYP1A2CYP2A6PTGDR2CYP2D6 | |
| SCHEMBL22075719 | 0.72 | MEN1 (0.41) | TSHR | |
| SCHEMBL14136250 | 0.72 | BACE1 (0.45) | BACE1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL7103316 | 0.68 | MAPT (0.39) | BACE1 | |
| SCHEMBL5504528 | 0.65 | KDM4E (0.41) | CYP1A2 | |
| Sulfuric Acid SCHEMBL4093062 | 0.64 | TEAD4 (0.55) | CYP1A2CYP2A6CYP2D6NFKB1TAAR1 | |
| SCHEMBL30978218 | 0.63 | L3MBTL1 (0.56) | BACE1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL2750291 | 0.63 | L3MBTL1 (0.56) | BACE1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL3747956 | 0.63 | UGT2B7 (0.39) | CYP1A2CYP2D6TSHR |
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-1791833-A2 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | Allergan, Inc. (US) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006036497-A2 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |