Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 3/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4400157 | 0.76 | KDM4E (0.54) | GABRG2GABRB3GABRA5CYP1A2CYP3A4 | |
| SCHEMBL29811175 | 0.76 | KDM4E (0.54) | GABRG2GABRB3GABRA5CYP1A2CYP3A4 | |
| SCHEMBL7342733 | 0.76 | BCHE (0.43) | GABRG2GABRB3GABRA5BCHEACHE | |
| SCHEMBL2335839 | 0.73 | KDM4E (0.49) | GABRG2GABRB3GABRA5MEN1RECQL | |
| SCHEMBL1185539 | 0.73 | KDR (0.56) | GABRG2GABRB3GABRA5 | |
| SCHEMBL30097771 | 0.71 | MKNK1 (0.40) | PDPK1PARP1PARP10PARP11CHRNB2 | |
| SCHEMBL26505847 | 0.71 | MKNK1 (0.40) | PDPK1PARP1PARP10PARP11CHRNB2 | |
| SCHEMBL1617927 | 0.70 | PDPK1 (0.59) | BCHEACHEBRD4PDPK1PARP1 | |
| SCHEMBL29493616 | 0.69 | GABRG2 (0.55) | GABRG2GABRB3GABRA5MEN1CYP3A4 | |
| SCHEMBL11829286 | 0.69 | GABRG2 (0.55) | GABRG2GABRB3GABRA5MEN1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640592-B1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-12-30 | — | — | EP | disclosed |
| WO-1997047625-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-18 | — | — | WO | disclosed |
| WO-1997047624-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-18 | — | — | WO | disclosed |
| US-5512563-A | TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1996-04-30 | — | — | US | disclosed |
| EP-0640592-A1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |