Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | MMP2 | P08253 | 9/20 | 0.43 |
| ▸ | MMP1 | P03956 | 8/20 | 0.43 |
| ▸ | MMP3 | P08254 | 8/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14360835 | 0.85 | CTSS (0.55) | CTSSCTSKMMP2MMP1MMP3 | |
| SCHEMBL14360791 | 0.84 | METAP2 (0.43) | CTSSCTSKMMP2MMP1MMP3 | |
| SCHEMBL14360790 | 0.79 | TACR2 (0.49) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3915529 | 0.77 | BCHE (0.42) | MMP2MMP1MMP3 | |
| SCHEMBL1864993 | 0.77 | CHRNB2 (0.61) | CTSSCTSKMMP1MMP3CHRNB2 | |
| SCHEMBL1861306 | 0.76 | CTSK (0.69) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1861303 | 0.76 | CTSK (0.69) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13739944 | 0.75 | CHRNB2 (0.49) | CTSSCTSKMMP2MMP1MMP3 | |
| SCHEMBL31040440 | 0.74 | CA14 (0.50) | CTSK | |
| SCHEMBL4971388 | 0.71 | CTSS (0.52) | CTSSCTSKCHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1797065-A4 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORP (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1797065-A2 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006029210-A2 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-16 | — | — | WO | disclosed |