Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | FLT3 | P36888 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3746049 | 0.83 | ESRRA (0.47) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL25045292 | 0.83 | FLT3 (0.50) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL14611001 | 0.79 | NOTUM (0.56) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL25045291 | 0.79 | KDM4E (0.40) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL17502323 | 0.78 | KDM4E (0.74) | NOTUMMAPTKDM4ERAB9AP2RX7 | |
| SCHEMBL29479281 | 0.76 | NOTUM (0.53) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL18040196 | 0.76 | RAB9A (0.63) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL14610999 | 0.76 | P2RX7 (0.68) | NOTUMMAPTKDM4EFLT3RAB9A | |
| SCHEMBL3752886 | 0.76 | HTT (0.47) | MAPTSMN1; SMN2PTGS2 | |
| SCHEMBL28357092 | 0.75 | NOTUM (0.37) | NOTUMMAPTKDM4EFLT3RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987080-A | Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-11-03 | — | — | CN | disclosed |
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |