Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL842056 | 1.00 | SMYD3 (0.45) | SMYD3KMT2AMETAP2L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL14974708 | 0.98 | SMYD3 (0.44) | SMYD3KMT2AMETAP2L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL2377127 | 0.98 | SMYD3 (0.44) | SMYD3KMT2AMETAP2L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL2376124 | 0.98 | SMYD3 (0.44) | SMYD3KMT2AMETAP2L3MBTL1LMNA | |
| SCHEMBL8013263 | 0.93 | EPHX1 (0.46) | SMYD3METAP2EPHX1SIGMAR1EPHX2 | |
| SCHEMBL329101 | 0.86 | SMYD3 (0.43) | SMYD3KMT2AMETAP2LMNABLM | |
| SCHEMBL3045972 | 0.86 | SMYD3 (0.43) | SMYD3KMT2AMETAP2LMNABLM | |
| SCHEMBL328991 | 0.86 | SMYD3 (0.43) | SMYD3KMT2AMETAP2LMNABLM | |
| SCHEMBL2331995 | 0.86 | SMYD3 (0.43) | SMYD3KMT2AMETAP2LMNABLM | |
| SCHEMBL329193 | 0.86 | SMYD3 (0.43) | SMYD3KMT2AMETAP2LMNABLM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102264695-B | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY INC | 2014-11-05 | — | — | CN | disclosed |
| EP-2361243-B9 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2014-06-11 | — | — | EP | disclosed |
| EP-2361243-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012151319-A1 | CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN | VIROBAY, INC. (US) | 2012-11-08 | — | — | WO | disclosed |
| CN-102264695-A | Haloalkyl containing compounds as cysteine protease inhibitors | — | 2011-11-30 | — | — | CN | disclosed |
| EP-2361243-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2011-08-31 | — | — | EP | disclosed |
| WO-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |