Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27893711 | 1.00 | PARP1 (0.36) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27911530 | 0.86 | SMN1; SMN2 (0.35) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27808388 | 0.85 | PARP1 (0.39) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL28039485 | 0.81 | PARP1 (0.40) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL3648303 | 0.78 | CA1 (0.41) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27911493 | 0.77 | DGAT1 (0.36) | SMN1; SMN2 | |
| SCHEMBL27541465 | 0.73 | PARP15 (0.46) | PARP1PARP15PARP14PARP10CTSB | |
| SCHEMBL4434733 | 0.72 | SMN1; SMN2 (0.40) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27643671 | 0.71 | TAAR1 (0.46) | PARP1PARP15PARP14PARP10L3MBTL1 | |
| SCHEMBL28781154 | 0.71 | PARP1 (0.41) | PARP1CA1CA2CA5ACA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102933564-A | 5, 6-dihydro-2H- [1,4] oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV | 2013-02-13 | — | — | CN | disclosed |