Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16398438 | 0.78 | CTSL (0.45) | CA1CA2CA9 | |
| SCHEMBL16398437 | 0.78 | CTSL (0.45) | CA1CA2CA9 | |
| SCHEMBL10171982 | 0.78 | CTSL (0.42) | CA1CA2CA9BUB1 | |
| SCHEMBL583025 | 0.77 | FFAR1 (0.43) | ARNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7214509 | 0.76 | IDO1 (0.41) | CA1CA2BUB1CYP19A1ALDH1A1 | |
| SCHEMBL30324809 | 0.75 | OPRM1 (0.45) | CA1CA2CA9 | |
| SCHEMBL249386 | 0.73 | CA2 (0.63) | ARNPC1HPGDRAB9ASMN1; SMN2 | |
| Benzene SCHEMBL27447210 | 0.73 | CA2 (0.63) | ARNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL28283611 | 0.73 | SLC6A2 (0.44) | NPC1RAB9ASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL20282868 | 0.72 | LTA4H (0.47) | MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057739-A | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-109641896-B | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2021-09-21 | — | — | CN | disclosed |