Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 2/20 | 0.46 |
| ▸ | ARG2 | P78540 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL10064193 | 0.91 | ARG1 (0.46) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL2826704 | 0.91 | ARG1 (0.46) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL2826706 | 0.91 | ARG1 (0.46) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| Formic Acid SCHEMBL28136600 | 0.81 | ARG1 (0.30) | ARG1ARG2 | |
| SCHEMBL7309724 | 0.81 | ARG1 (0.47) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL7309716 | 0.81 | ARG1 (0.47) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL12280378 | 0.81 | ARG1 (0.47) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL855183 | 0.80 | ARG1 (0.46) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL2826721 | 0.78 | ARG1 (0.45) | ARG1ARG2HDAC8HDAC6HDAC1 | |
| SCHEMBL24917581 | 0.77 | DRD2 (0.46) | ARG1ARG2HDAC8HDAC6HDAC1 |
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-105001218-A | Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension | NOVARTIS AG | 2015-10-28 | — | — | CN | disclosed |
| CN-104024252-B | Bicyclic heterocyclic derivatives for the treatment of pulmonary hypertension | NOVARTIS AG (CH) | 2015-08-26 | — | — | CN | disclosed |
| CN-104024252-A | Bicyclic heterocyclic derivatives for the treatment of pulmonary hypertension | NOVARTIS AG | 2014-09-03 | — | — | CN | disclosed |