Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13349413 | 0.87 | HTR2A (0.40) | KDM1AKDM1BSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3956308 | 0.84 | TACR2 (0.39) | TACR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29572531 | 0.84 | TACR2 (0.39) | TACR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3956306 | 0.84 | TACR2 (0.39) | TACR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8260934 | 0.84 | TACR2 (0.39) | TACR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14724849 | 0.81 | CHRNB2 (0.37) | SLC6A2SLC6A4CHRNB2CHRNA4HTR2A | |
| SCHEMBL3597607 | 0.81 | CHRNB2 (0.37) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL26602774 | 0.80 | TACR2 (0.38) | TACR2SLC6A4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL31377482 | 0.80 | TACR2 (0.38) | TACR2SLC6A4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14294999 | 0.80 | TACR2 (0.41) | TACR2CHRNB2CHRNB4CHRNA3CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658267-A4 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2007-08-01 | — | — | EP | disclosed |
| EP-1658267-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005034848-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-04-21 | — | — | WO | disclosed |
| WO-2004112709-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-12-29 | — | — | WO | disclosed |