Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | WNT3A | P56704 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EPM2A | O95278 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10370627 | 0.88 | CA12 (0.62) | MRGPRX4CA12CA9CA2FLT3 | |
| SCHEMBL9828803 | 0.81 | HTR1B (0.49) | MRGPRX4CA12CA9CTNNB1WNT3A | |
| SCHEMBL12216193 | 0.81 | MRGPRX4 (0.45) | MRGPRX4CA12CA9CTNNB1WNT3A | |
| SCHEMBL75412 | 0.79 | CA12 (0.46) | MRGPRX4CA12CA9CTNNB1WNT3A | |
| SCHEMBL15091949 | 0.79 | L3MBTL1 (0.54) | MRGPRX4CA12CA9CA2CYP2A6 | |
| SCHEMBL5004145 | 0.78 | PTPN7 (0.58) | MRGPRX4CTNNB1WNT3AALDH1A1KMT2A | |
| SCHEMBL809274 | 0.78 | KMT2A (0.55) | CA12CA9FLT3POLBALDH1A1 | |
| SCHEMBL3794109 | 0.76 | CA2 (0.46) | MRGPRX4CA12CA2CYP2A6NPC1 | |
| SCHEMBL15113846 | 0.76 | CA2 (0.45) | MRGPRX4CA12CA9CTNNB1WNT3A | |
| SCHEMBL18898106 | 0.75 | CA2 (0.44) | MRGPRX4CA12CA9CTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1412361-B1 | SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS | GRUENENTHAL GMBH (DE) | 2008-07-23 | — | — | EP | disclosed |
| EP-1412361-A1 | SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS | Grünenthal GmbH (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003014124-A1 | SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS | Grünenthal GmbH (DE) | 2003-02-20 | — | — | WO | disclosed |