Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | FLT1 | P17948 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155147 | 0.83 | SOS1 (0.43) | KMT2AGAAMAPTTDP1ALDH1A1 | |
| SCHEMBL20155604 | 0.81 | NPC1 (0.43) | NUDT1KDRFLT1KMT2AGAA | |
| SCHEMBL27870370 | 0.80 | RAB9A (0.43) | GAAMAPTCYP3A4ALDH1A1NOX1 | |
| SCHEMBL20155119 | 0.78 | MAPT (0.41) | KMT2AGAAMAPTALDH1A1CYP1A2 | |
| SCHEMBL34474510 | 0.77 | KDR (0.46) | NUDT1KDRFLT1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL11291419 | 0.77 | ALDH1A1 (0.50) | KMT2AGAAMAPTTDP1CYP3A4 | |
| SCHEMBL1662774 | 0.76 | MAPK14 (0.41) | KMT2AGAAMAPTTDP1CYP3A4 | |
| SCHEMBL29454149 | 0.75 | NUDT1 (0.40) | NUDT1KDRFLT1KMT2AMAPT | |
| SCHEMBL22231933 | 0.75 | NUDT1 (0.40) | NUDT1KDRFLT1KMT2AMAPT | |
| SCHEMBL31723200 | 0.75 | NUDT1 (0.40) | NUDT1KDRFLT1KMT2AMAPT |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |