Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2850794 | 1.00 | UGT2B7 (0.44) | UGT2B7PARP1KMT2AMEN1ADRB1 | |
| SCHEMBL8220975 | 1.00 | UGT2B7 (0.44) | UGT2B7PARP1KMT2AMEN1ADRB1 | |
| SCHEMBL29903264 | 0.83 | UGT2B7 (0.44) | UGT2B7KMT2AMEN1ADRA2BADRB2 | |
| SCHEMBL14966853 | 0.83 | UGT2B7 (0.44) | UGT2B7KMT2AMEN1ADRA2BADRB2 | |
| SCHEMBL3709776 | 0.83 | PARP1 (0.36) | PARP1ADRB1ADRA2AADRB3ADRA2B | |
| SCHEMBL31550151 | 0.83 | PARP1 (0.42) | PARP1LMNAHIF1A | |
| SCHEMBL8243510 | 0.83 | PARP1 (0.42) | PARP1LMNAHIF1A | |
| SCHEMBL4444491 | 0.81 | PARP1 (0.41) | PARP1ADRB1ADRA2AADRB3ADRA2B | |
| SCHEMBL248016 | 0.80 | PARP1 (0.40) | PARP1ADRB2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30726196 | 0.80 | PARP1 (0.40) | PARP1ADRB2CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017108204-A1 | NOVEL SUBSTITUTED SPIRO-[INDOLINE HETEROCYCLOALKANE] COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2017-06-29 | — | — | WO | disclosed |