Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15235937 | 0.81 | ATM (0.46) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL8676354 | 0.79 | ATM (0.45) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL8410304 | 0.77 | ATM (0.44) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL14307454 | 0.77 | ATM (0.44) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL86001 | 0.77 | ATM (0.41) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL4456724 | 0.77 | ATM (0.41) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL4468492 | 0.75 | ATM (0.40) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL8144898 | 0.75 | ATM (0.43) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL19730332 | 0.74 | KMT2A (0.66) | ATMNPC1KMT2AGPR35ALDH1A1 | |
| SCHEMBL85970 | 0.74 | ATM (0.49) | ATMNPC1KMT2AGPR35ALDH1A1 |
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-10908162-B2 | Methods related to volatile compounds in genitourinary cancers | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2021-02-02 | — | — | US | disclosed |