Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL17136337 | 0.75 | ATM (0.40) | ATMMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL244855 | 0.75 | ATM (0.61) | ATMMEN1KMT2ARAB9ANPC1 | |
| Iodide SCHEMBL4389500 | 0.75 | PTPN1 (0.42) | ATMMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL22326431 | 0.67 | ATM (0.61) | ATMMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL29518518 | 0.66 | CYP2A6 (0.55) | TDP1CYP2A6BRD4CYP1A2PDE10A | |
| SCHEMBL234439 | 0.66 | CYP2A6 (0.55) | TDP1CYP2A6BRD4CYP1A2PDE10A | |
| SCHEMBL27615068 | 0.64 | ATM (0.57) | ATMMEN1KMT2ARAB9ANPC1 | |
| Ammonia Solution, Strong SCHEMBL27937960 | 0.63 | CYP2A6 (0.52) | TDP1CYP2A6BRD4CYP1A2PDE10A | |
| SCHEMBL29464772 | 0.62 | ATM (0.56) | ATMMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL278568 | 0.62 | ATM (0.56) | ATMMEN1KMT2ARAB9ANPC1 |
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-2015095437-A1 | METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |