Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3550104 | 0.76 | SIGMAR1 (0.59) | SIGMAR1BCHEALDH1A1TACR1POLB | |
| SCHEMBL2483554 | 0.76 | SIGMAR1 (0.59) | SIGMAR1BCHEALDH1A1TACR1POLB | |
| SCHEMBL2155993 | 0.73 | TACR1 (0.43) | SIGMAR1BCHETACR1TSHR | |
| SCHEMBL18630911 | 0.72 | KDM4E (0.50) | ALDH1A1TACR1POLBTSHRKDM4E | |
| SCHEMBL16714806 | 0.72 | SIGMAR1 (0.54) | SIGMAR1BCHEALDH1A1POLBMEN1 | |
| SCHEMBL18640775 | 0.71 | TSHR (0.56) | ALDH1A1TACR1POLBTSHRKDM4E | |
| SCHEMBL20161134 | 0.71 | SIGMAR1 (0.58) | SIGMAR1BCHEHTR1APOLBADRB2 | |
| SCHEMBL8591924 | 0.69 | TSHR (0.44) | ALDH1A1TACR1POLBTSHRKDM4E | |
| SCHEMBL14349320 | 0.69 | TSHR (0.52) | ALDH1A1TACR1POLBTSHRKDM4E | |
| SCHEMBL765714 | 0.68 | SIGMAR1 (0.68) | SIGMAR1BCHEALDH1A1POLBKDM4E |
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-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |