Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049849 | 0.80 | ESR1 (0.45) | CHRNA7KDM4ENPC1RAB9A | |
| SCHEMBL17714693 | 0.80 | KDM4E (0.42) | CHRNA7KDM4ESYKTSHRALDH1A1 | |
| SCHEMBL5670284 | 0.78 | CHRNA7 (0.51) | CHRNA7SYK | |
| SCHEMBL5049832 | 0.77 | CHRNA7 (0.54) | CHRNA7KDM4ESYKALDH1A1RECQL | |
| SCHEMBL26128512 | 0.75 | CHRNA7 (0.56) | CHRNA7KDM4ESYKALDH1A1 | |
| SCHEMBL15211851 | 0.74 | MAPT (0.54) | CHRNA7KDM4ESYKALDH1A1RECQL | |
| SCHEMBL15211924 | 0.74 | MAPT (0.54) | CHRNA7KDM4ESYKALDH1A1RECQL | |
| SCHEMBL17714697 | 0.72 | KMT2A (0.53) | KDM4ESYKTSHRALDH1A1NPC1 | |
| SCHEMBL11310244 | 0.72 | CRHR1 (0.42) | KDM4ETSHRALDH1A1NPC1RAB9A | |
| SCHEMBL20882972 | 0.72 | MAPT (0.47) | CHRNA7RECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-7018840-B2 | Ligand for in the detection of toxic metals in mammals | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-03-28 | — | — | US | disclosed |
| US-20030008405-A1 | Fluorescent metal sensors, and methods of making and using the same | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-01-09 | — | — | US | disclosed |