Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 7/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155678 | 0.75 | CHKA (0.33) | CHKAHTR6KDM4ETDP1TSHR | |
| SCHEMBL15716821 | 0.71 | KDM4E (0.45) | CHKAHTR6KDM4EALDH1A1POLB | |
| SCHEMBL20154962 | 0.70 | NPC1 (0.33) | KDM4EALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL22860004 | 0.61 | BRD4 (0.46) | KDM4EALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL15716909 | 0.61 | BRD4 (0.42) | KDM4EALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL20155261 | 0.61 | SMN1; SMN2 (0.35) | KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL17439312 | 0.61 | KMT2A (0.38) | KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL15716545 | 0.61 | BRD4 (0.44) | KDM4EALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL16053058 | 0.60 | BRD4 (0.33) | KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL15716820 | 0.58 | KDM4E (0.39) | KDM4EALDH1A1POLBTDP1TSHR |
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 |