Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | CCR3 | P51677 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1061618 | 0.96 | ACHE (0.59) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2227086 | 0.89 | CYP2D6 (0.66) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL994346 | 0.89 | CYP2D6 (0.66) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3023682 | 0.89 | CYP2D6 (0.66) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL42207 | 0.89 | ACHE (0.67) | SIGMAR1ALDH1A1ACHECCR3DRD4 | |
| Hydrochloric Acid SCHEMBL4221752 | 0.88 | CYP2D6 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5266695 | 0.88 | CYP2D6 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Methane SCHEMBL692994 | 0.88 | CYP2D6 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5266699 | 0.88 | CYP2D6 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL16333749 | 0.88 | CYP2D6 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-2069347-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |