Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21278207 | 1.00 | ATM (0.41) | ATMCNR2SMN1; SMN2LMNAPOLB | |
| SCHEMBL11964097 | 0.91 | ATM (0.51) | ATMALDH1A1CA1CA2ACHE | |
| SCHEMBL9962995 | 0.91 | ATM (0.39) | ATMCNR2SMN1; SMN2ALDH1A1CA1 | |
| SCHEMBL16629773 | 0.86 | ATM (0.37) | ATMSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL21278571 | 0.86 | ATM (0.37) | ATMSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL21278203 | 0.85 | NPC1 (0.38) | ATMCNR2SMN1; SMN2LMNAPOLB | |
| SCHEMBL16619518 | 0.85 | NPC1 (0.38) | ATMCNR2SMN1; SMN2LMNAPOLB | |
| SCHEMBL21278407 | 0.85 | ATM (0.38) | ATMALDH1A1GAAMEN1KMT2A | |
| SCHEMBL12862460 | 0.85 | ATM (0.38) | ATMALDH1A1GAAMEN1KMT2A | |
| SCHEMBL17986578 | 0.82 | CYP26A1 (0.33) | CNR2SMN1; SMN2LMNAALDH1A1UTS2R |
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 |
|---|---|---|---|---|---|---|---|
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |