Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.53 |
| ▸ | TDO2 | P48775 | 3/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 5/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16622110 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL16622109 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL13741859 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL16600949 | 0.77 | GRIN2B (0.55) | SLC18A3SIGMAR1GRIN2B | |
| SCHEMBL8029813 | 0.75 | SLC18A3 (0.56) | SLC18A3SIGMAR1CYP2D6AKR1C3AKR1C1 | |
| SCHEMBL8029809 | 0.75 | SLC18A3 (0.56) | SLC18A3SIGMAR1CYP2D6AKR1C3AKR1C1 | |
| SCHEMBL7496186 | 0.75 | CYP1A2 (0.59) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL26999319 | 0.75 | SLC18A3 (0.56) | SLC18A3SIGMAR1CYP2D6AKR1C3AKR1C1 | |
| SCHEMBL1520497 | 0.74 | CYP1A2 (0.57) | IDO1TDO2CYP1A2CYP2D6HIF1A | |
| SCHEMBL8042986 | 0.74 | AKR1C3 (0.47) | IDO1TDO2SLC18A3AKR1C3AKR1C1 |
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-3036221-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015048507-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |