Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8013634 | 0.92 | CHRNB2 (0.45) | CHRNB2CHRNA4CTSLCTSSCTSK | |
| SCHEMBL11478353 | 0.81 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| SCHEMBL2004098 | 0.77 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| SCHEMBL4808799 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| SCHEMBL7305175 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| SCHEMBL105590 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| Formaldehyde SCHEMBL28730871 | 0.72 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1 | |
| SCHEMBL9307305 | 0.71 | KCNH2 (0.44) | — | |
| SCHEMBL9307301 | 0.71 | KCNH2 (0.44) | — | |
| SCHEMBL31673233 | 0.71 | CYP2A6 (0.57) | CHRNB2CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7211603-B1 | Enediyne compounds and methods related thereto | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2007-05-01 | — | — | US | disclosed |
| US-6987132-B1 | Enediyne compounds and methods related thereto | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) | 2006-01-17 | — | — | US | disclosed |
| US-6514995-B1 | Metal complex is capable of forming a benzenoid diradical under physiological conditions and/or under photothermal conditions | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. | 2003-02-04 | — | — | US | disclosed |