Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MET | P08581 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL725001 | 0.86 | PARP1 (0.53) | PARP1MAPTTP53METACHE | |
| SCHEMBL22469950 | 0.86 | S1PR1 (0.56) | PARP1MAPTTP53METNOTUM | |
| SCHEMBL30018059 | 0.86 | S1PR1 (0.56) | PARP1MAPTTP53METNOTUM | |
| SCHEMBL13505026 | 0.85 | SPHK2 (0.53) | PARP1MAPTTP53METACHE | |
| SCHEMBL13415304 | 0.84 | TP53 (0.64) | PARP1MAPTTP53METACHE | |
| Hydrochloric Acid SCHEMBL31346660 | 0.81 | IDO1 (0.50) | PARP1MAPTTP53METACHE | |
| Hydrochloric Acid SCHEMBL31346683 | 0.81 | PARP1 (0.49) | PARP1MAPTTP53METACHE | |
| SCHEMBL1544481 | 0.80 | ALDH1A1 (0.46) | MAPTNOTUMS1PR1S1PR3NPC1 | |
| SCHEMBL8428076 | 0.80 | ACHE (0.62) | MAPTTP53NOTUMACHEBCHE | |
| SCHEMBL12494 | 0.80 | RAB9A (0.64) | MAPTTP53NOTUMACHENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019154366-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏奥赛康药业有限公司 | 2019-08-15 | — | — | WO | disclosed |