Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HK1 | P19367 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GALK1 | P51570 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2428589 | 0.84 | LRRK2 (0.47) | AHRPDK2NPC1MAPTKDM4E | |
| SCHEMBL7411028 | 0.79 | AHR (0.52) | AHRPDK2NPC1MAPTRAB9A | |
| SCHEMBL16471419 | 0.78 | TDP2 (0.50) | AHRPDK2TDP2CASP3CASP7 | |
| SCHEMBL2087698 | 0.78 | TDP2 (0.66) | AHRPDK2NPC1MAPTRAB9A | |
| SCHEMBL9409761 | 0.74 | HRH1 (0.47) | AHRPDK2MAPTKDM4EMAPK1 | |
| SCHEMBL30310960 | 0.74 | HRH1 (0.47) | AHRPDK2MAPTKDM4EMAPK1 | |
| SCHEMBL11536027 | 0.74 | CHEK1 (0.58) | MEN1KMT2APDGFRAFERLTK | |
| SCHEMBL1816980 | 0.74 | AHR (0.63) | AHRPDK2NPC1MAPTRAB9A | |
| Acridan SCHEMBL20594012 | 0.72 | MAPT (0.65) | AHRPDK2NPC1MAPTRAB9A | |
| Acridan SCHEMBL29405807 | 0.72 | MAPT (0.65) | AHRPDK2NPC1MAPTRAB9A |
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-0640592-B1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-12-30 | — | — | EP | disclosed |
| WO-1997047624-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-18 | — | — | WO | disclosed |
| US-5594152-A | Process for the preparation of tricyclic-heterocycles | AMERICAN CYANAMID COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1996022282-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5436333-A | Process for the preparation of tricyclic-heterocycles | AMERICAN CYANAMID COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0640592-A1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| US-3959282-A | ANTIPSYCHOLICS, SOPORIFICES | SANDOZ LTD. (CH) | 1976-05-25 | — | — | US | disclosed |