Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | ADH5 | P11766 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 2/20 | 0.43 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.40 |
| ▸ | RPA1 | P27694 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16330606 | 0.83 | TP53 (0.60) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL16630763 | 0.80 | PTK2 (0.54) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL17670006 | 0.74 | PTK2 (0.64) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL12457517 | 0.74 | PTK2 (0.64) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL4211444 | 0.74 | PTK2 (1.00) | PTK2CYP2A6XDHADH5RAF1 | |
| Hydrochloric Acid SCHEMBL1965603 | 0.72 | PTK2 (0.96) | PTK2CYP2A6XDHADH5RAF1 | |
| SCHEMBL27808074 | 0.70 | XDH (0.78) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL31014498 | 0.70 | PTK2 (0.58) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL31014213 | 0.70 | XDH (0.58) | PTK2CYP2A6XDHADH5TP53 | |
| SCHEMBL31015553 | 0.70 | XDH (0.58) | PTK2CYP2A6XDHADH5TP53 |
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-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |