Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18727495 | 0.98 | MAOA (0.44) | MAOAMAOBCTSLCTSKCTSB | |
| SCHEMBL11823681 | 0.83 | MAOA (0.48) | MAOAMAOBCTSLCTSKCTSB | |
| SCHEMBL1574471 | 0.83 | TACR1 (0.44) | MAOAMAOBGRIN2BCYP46A1OPRM1 | |
| SCHEMBL13681482 | 0.82 | ACHE (0.42) | MAOAMAOBGRIN2BCYP46A1HSD17B3 | |
| SCHEMBL14000290 | 0.82 | CYP46A1 (0.45) | MAOAMAOBGRIN2BCYP46A1OPRL1 | |
| Hydrochloric Acid SCHEMBL3251338 | 0.82 | TACR1 (0.43) | MAOAMAOBGRIN2BCYP46A1OPRM1 | |
| SCHEMBL4825666 | 0.82 | HSD17B3 (0.44) | MAOAMAOBGRIN2BCYP46A1HSD17B3 | |
| SCHEMBL8767085 | 0.82 | MAOA (0.47) | MAOAMAOBCTSLCTSKCTSB | |
| SCHEMBL1772885 | 0.79 | MME (0.35) | MAOBCTSLCTSBOPRM1CTSS | |
| SCHEMBL4821650 | 0.79 | MAOA (0.38) | MAOAMAOBGRIN2BCYP46A1HSD17B3 |
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 |