Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5177282 | 0.83 | ILK (0.57) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL22130264 | 0.78 | SMN1; SMN2 (0.62) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL22130227 | 0.75 | ACP1 (0.44) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL2379405 | 0.74 | ALDH1A1 (0.64) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL25277063 | 0.74 | MAPT (0.51) | ALDH1A1TSHRTDP1SMN1; SMN2MAPT | |
| SCHEMBL30014995 | 0.74 | ILK (0.49) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL27993567 | 0.73 | KMT2A (0.60) | ALDH1A1TSHRTDP1MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL28411118 | 0.73 | MAPT (0.51) | ALDH1A1TSHRTDP1SMN1; SMN2HTT | |
| SCHEMBL11784834 | 0.72 | RAB9A (0.58) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL2136576 | 0.72 | APP (0.69) | ILKALDH1A1CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020130214-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | 한국과학기술연구원 | 2020-06-25 | — | — | WO | disclosed |
| EP-1674466-A1 | 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors | 4SC AG (DE) | 2006-06-28 | — | — | EP | disclosed |