Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21660387 | 1.00 | PAOX (0.45) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL20322328 | 0.88 | KDM4E (0.52) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL8435124 | 0.84 | KDM4E (0.46) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL22221786 | 0.81 | MEN1 (0.44) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL22600632 | 0.81 | TSHR (0.40) | MAPK1TSHRHDAC7HDAC8HDAC6 | |
| SCHEMBL8436494 | 0.80 | TSHR (0.42) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL21682424 | 0.79 | PAOX (0.42) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| SCHEMBL20012051 | 0.79 | KDM4E (0.52) | PAOXKDM4EMAPK1HIF1ATSHR | |
| SCHEMBL8685401 | 0.78 | PAOX (0.45) | PAOXKDM4EMAPK1HIF1AMTNR1A | |
| Propionic Acid SCHEMBL5432081 | 0.78 | MTNR1A (0.44) | PAOXKDM4EMAPK1HIF1AMTNR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3319643-B1 | HBED-BISPHOSPHONATES AND RADIOMETAL CONJUGATES THEREOF, USEFUL AS THERANOSTIC AGENTS | FIVE ELEVEN PHARMA INC (US) | 2020-04-22 | — | — | EP | disclosed |
| EP-3246330-A1 | IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS | Istituto Europeo di Oncologia S.r.l. (IT) | 2017-11-22 | — | — | EP | disclosed |