Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SETD2 | Q9BYW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL23693873 | 0.86 | CTSB (0.47) | MMP12MTHFD2CTSLCTSBCTSS | |
| Trifluoroacetic Acid SCHEMBL29887003 | 0.84 | CTSB (0.43) | MMP12MTHFD2CTSLCTSBCTSS | |
| SCHEMBL23693715 | 0.80 | CTSL (0.46) | MMP12MTHFD2CTSLCTSBCTSS | |
| SCHEMBL23673558 | 0.79 | ROCK2 (0.35) | CTSLCTSBCTSSNPC1RAB9A | |
| SCHEMBL23673493 | 0.77 | CTSB (0.57) | CTSLCTSBCTSS | |
| SCHEMBL23693620 | 0.73 | CTSB (0.54) | MMP12CTSLCTSBCTSSPOLB | |
| SCHEMBL23673496 | 0.72 | MMP12 (0.58) | MMP12MTHFD2NPC1RAB9APOLB | |
| SCHEMBL29888014 | 0.72 | MMP12 (0.58) | MMP12MTHFD2NPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL23673580 | 0.72 | CTSB (0.49) | MMP12CTSLCTSBCTSSPOLB | |
| SCHEMBL23693546 | 0.71 | CTSB (0.52) | MMP12CTSLCTSBCTSS |
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 |
|---|---|---|---|---|---|---|---|
| CN-114981251-B | Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-114981251-A | Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2022-08-30 | — | — | CN | disclosed |
| WO-2021147882-A1 | DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 深圳信立泰药业股份有限公司 | 2021-07-29 | — | — | WO | disclosed |