Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | FPR1 | P21462 | 6/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.42 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21245458 | 0.73 | TP53 (0.49) | TP53ALDH1A1HTTMAPTPOLB | |
| SCHEMBL21245460 | 0.72 | TP53 (0.48) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL20150735 | 0.71 | LMNA (0.46) | LMNAALDH1A1HTTMAPTPOLB | |
| SCHEMBL20150739 | 0.70 | LMNA (0.44) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL178429 | 0.69 | MAPT (0.71) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL20113814 | 0.69 | TP53 (0.73) | TP53LMNAHTTMAPTPOLB | |
| SCHEMBL30729658 | 0.68 | MAPT (0.69) | LMNAALDH1A1HTTMAPTPOLB | |
| SCHEMBL10975281 | 0.67 | MAPT (0.67) | LMNAALDH1A1HTTMAPTPOLB | |
| SCHEMBL20150736 | 0.67 | MAPT (0.67) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL12997450 | 0.67 | MAPT (0.67) | LMNAALDH1A1HTTMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011043942-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |