Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 9/20 | 0.36 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18724699 | 0.73 | POLB (0.50) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL3672275 | 0.70 | POLB (1.00) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL3279018 | 0.68 | PKM (0.47) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL4594947 | 0.68 | POLB (0.44) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL875075 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL3033535 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL7424280 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM | |
| SCHEMBL3033056 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM | |
| Water SCHEMBL134510 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM | |
| Water SCHEMBL1915155 | 0.68 | POLB (0.95) | POLBMAPK1ATMALDH1A1PKM |
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-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |