Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALKBH1 | Q13686 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155108 | 0.77 | TGFBR1 (0.45) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL20155060 | 0.74 | F2RL3 (0.33) | DYRK1AMAPTLMNACYP3A4APEX1 | |
| SCHEMBL20155602 | 0.71 | IP6K1 (0.40) | POLBHPGDMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL20155081 | 0.71 | NR4A2 (0.31) | — | |
| SCHEMBL31564684 | 0.67 | AURKA (0.48) | ACHEKMT2AMEN1NPSR1OPRM1 | |
| SCHEMBL23723738 | 0.66 | MAPK14 (0.49) | POLBHPGDMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL30013758 | 0.66 | MAPK14 (0.49) | POLBHPGDMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL17873844 | 0.65 | ADORA2A (0.40) | POLBMAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4911096 | 0.65 | DHFR (0.40) | MAPTKDM4ESMN1; SMN2MAPK14MAOB | |
| SCHEMBL20155347 | 0.65 | MAT2A (0.38) | MAPTKDM4ESMN1; SMN2LMNACYP3A4 |
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 |