Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL863402 | 0.92 | — | — | |
| Water SCHEMBL27678795 | 0.89 | CYP2A6 (0.50) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL1702558 | 0.86 | TP53 (0.56) | TP53EGFRUCHL1TAAR1HRH3 | |
| SCHEMBL2776957 | 0.86 | TP53 (0.56) | TP53EGFRUCHL1TAAR1HRH3 | |
| SCHEMBL12966203 | 0.80 | LPL (0.45) | HRH3LPLLIPGNISCHNPC1 | |
| SCHEMBL14071590 | 0.78 | BCL2 (0.46) | TP53TAAR1 | |
| SCHEMBL19423242 | 0.78 | RXRA (0.48) | TP53EGFRUCHL1TAAR1HRH3 | |
| SCHEMBL19071814 | 0.77 | CHKA (0.41) | TP53EGFRTAAR1CYP2A6LPL | |
| SCHEMBL36295 | 0.76 | TP53 (0.67) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL21442484 | 0.76 | ALDH1A1 (0.38) | TP53TAAR1HRH3ALDH1A1MAPK1 |
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-1948191-B1 | NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES | UNIV MICHIGAN (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2008116156-A2 | METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2008-09-25 | — | — | WO | disclosed |