Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14040011 | 0.86 | LIMK2 (0.38) | LIMK2GPR119HSD11B1HTR2CSLC6A4 | |
| SCHEMBL15017085 | 0.85 | CNR2 (0.38) | LIMK2HSD11B1HTR2CSLC6A4CTSS | |
| SCHEMBL24438464 | 0.82 | ALOX5 (0.39) | LIMK2HTR2CSLC6A4CTSSSPR | |
| SCHEMBL23946178 | 0.81 | HTR4 (0.38) | LIMK2BCHE | |
| SCHEMBL10205121 | 0.81 | ACHE (0.40) | LIMK2 | |
| SCHEMBL8911411 | 0.81 | HTR2C (0.42) | HTR2CSLC6A4CTSLCTSBCTSS | |
| SCHEMBL21574018 | 0.81 | HTR2C (0.42) | HTR2CSLC6A4CTSLCTSBCTSS | |
| SCHEMBL23138479 | 0.80 | HPGD (0.48) | LIMK2GPR119HSD11B1PKM | |
| SCHEMBL6019337 | 0.80 | NR1H2 (0.43) | LIMK2HTR2CSLC6A4CTSSSPR | |
| SCHEMBL6019334 | 0.80 | NR1H2 (0.43) | LIMK2HTR2CSLC6A4CTSSSPR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9808466-B2 | Macrocyclic compounds as protein kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III | 2017-11-07 | — | — | US | disclosed |