Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | UBE2M | P61081 | 9/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 9/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3902204 | 0.76 | ALDH1A1 (0.47) | KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL11017509 | 0.76 | KMT2A (0.47) | KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL11017506 | 0.76 | KMT2A (0.47) | KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL11012013 | 0.76 | KMT2A (0.47) | KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL199461 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 | |
| SCHEMBL4780406 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 | |
| SCHEMBL199463 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 | |
| SCHEMBL350996 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 | |
| SCHEMBL199462 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 | |
| SCHEMBL5203561 | 0.72 | SLC1A2 (0.47) | KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276756-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009124166-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |