Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 9/20 | 0.60 |
| ▸ | ADH5 | P11766 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | RPA1 | P27694 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16144653 | 0.80 | ADH5 (0.67) | XDHADH5TP53RPA1ATM | |
| SCHEMBL9984638 | 0.79 | ADH5 (0.95) | XDHADH5TP53RPA1ATM | |
| SCHEMBL3413673 | 0.77 | XDH (0.96) | XDHADH5TP53RPA1ATM | |
| SCHEMBL14381411 | 0.77 | ADH5 (0.67) | XDHADH5TP53RPA1ATM | |
| SCHEMBL23987210 | 0.75 | XDH (0.68) | XDHADH5TP53RPA1ATM | |
| SCHEMBL2667739 | 0.74 | ADH5 (0.75) | XDHADH5TP53RPA1ATM | |
| SCHEMBL15004536 | 0.73 | MAPT (0.69) | XDHADH5TP53ALDH1A1GPR35 | |
| SCHEMBL1344194 | 0.73 | TP53 (1.00) | XDHADH5TP53RPA1ATM | |
| SCHEMBL18896243 | 0.72 | ADH5 (0.60) | XDHADH5TP53RPA1ATM | |
| SCHEMBL9969399 | 0.72 | TP53 (0.67) | XDHADH5TP53RPA1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-9809545-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |