Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981984 | 1.00 | CA2 (0.41) | CA2ALDH1A1MTNR1AKDM4EHPGD | |
| SCHEMBL11006242 | 0.87 | CA2 (0.42) | CA2MTNR1AMAP3K14ADRA1AADRA1D | |
| SCHEMBL1021052 | 0.83 | ADRA1A (0.47) | CA2HPGDADRA1AADRA1DADRA1B | |
| SCHEMBL6985807 | 0.83 | ADRA1A (0.49) | CA2ALDH1A1MTNR1AADRA1AADRA1D | |
| SCHEMBL11097027 | 0.83 | CA2 (0.44) | CA2ALDH1A1MTNR1AADRA1AADRA1D | |
| SCHEMBL11475106 | 0.83 | CA2 (0.44) | CA2MTNR1AADRA1AADRA1DADRA1B | |
| SCHEMBL6985813 | 0.83 | ADRA1A (0.49) | CA2ALDH1A1MTNR1AADRA1AADRA1D | |
| SCHEMBL6974656 | 0.83 | ADRA1A (0.47) | CA2HPGDADRA1AADRA1DADRA1B | |
| SCHEMBL4961826 | 0.82 | CA2 (0.40) | CA2ALDH1A1MTNR1AKDM4EHPGD | |
| SCHEMBL6982180 | 0.82 | CA2 (0.59) | CA2ADRA1AADRA1DADRA1BHTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | disclosed |
| EP-0841334-B1 | PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES | DAISO CO LTD (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-5935973-A | AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | disclosed |
| US-5780650-A | Process for preparation of 1,4-benzodioxane derivative | DAISO CO., LTD. (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0841334-A1 | PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES | DAISO CO., LTD. (JP) | 1998-05-13 | — | — | EP | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |