Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16620250 | 0.84 | CNR1 (0.46) | ADRB1ADRB3HTR1ADRD2RAB9A | |
| SCHEMBL16619869 | 0.82 | TAS1R3 (0.43) | ADRB1ADRB3HTR1ADRD2LMNA | |
| SCHEMBL16626961 | 0.82 | HTR1A (0.46) | HTR1ADRD2LMNAPOLBHDAC3 | |
| SCHEMBL16619803 | 0.82 | CA1 (0.46) | HTR1ADRD2LMNAPOLBRAB9A | |
| SCHEMBL16619657 | 0.80 | HPGD (0.46) | HTR1ADRD2LMNAPOLBCNR1 | |
| SCHEMBL20393849 | 0.80 | RAB9A (0.60) | LMNAPOLBRAB9A | |
| SCHEMBL16626906 | 0.79 | MAPK1 (0.58) | LMNAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29774136 | 0.79 | MAPK1 (0.58) | LMNAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19876848 | 0.79 | TDP1 (0.46) | ADRB1ADRB3HTR1ADRD2HDAC3 | |
| SCHEMBL16626938 | 0.78 | NAMPT (0.52) | ADRB1ADRB3LMNARAB9ACNR1 |
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-3052135-A1 | INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY | Universitetet I Oslo (NO) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015049546-A1 | INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY | UNIVERSITETET I OSLO (NO) | 2015-04-09 | — | — | WO | disclosed |