Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5584101 | 0.88 | IDO1 (0.32) | CYP2A6IDO1 | |
| SCHEMBL15636895 | 0.83 | NOTUM (0.39) | TSHRIDO1NOTUM | |
| SCHEMBL8560761 | 0.80 | CYP2A6 (0.43) | CYP2A6DPP4LMNATSHRNPC1 | |
| SCHEMBL15635850 | 0.80 | CYP2A6 (0.33) | CYP2A6LMNATSHR | |
| SCHEMBL432622 | 0.79 | AHR (0.42) | TSHRNPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL15637578 | 0.79 | KMO (0.39) | CYP2A6IDO1 | |
| SCHEMBL15637039 | 0.79 | PTPN1 (0.40) | TSHRSMN1; SMN2TP53HPGDKMT2A | |
| SCHEMBL15666423 | 0.78 | CYP2A6 (0.41) | CYP2A6DPP4LMNATSHRNPC1 | |
| SCHEMBL6226779 | 0.78 | NPC1 (0.39) | TSHRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL21224461 | 0.78 | DPP4 (0.44) | CYP2A6DPP4LMNATSHRNPC1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1423119-A4 | HETEROBICYCLES FKBP-LIGANDS | AGOURON PHARMA (US) | 2005-04-13 | — | — | EP | claimed |
| EP-1423119-A1 | HETEROBICYCLES FKBP-LIGANDS | Agouron Pharmaceuticals, Inc. (US) | 2004-06-02 | — | — | EP | claimed |
| WO-2002089806-A1 | HETEROBICYCLES FKBP-LIGANDS | AGOURON PHARMACEUTICALS, INC. (US) | 2002-11-14 | — | — | WO | claimed |
| EP-3126335-A1 | N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015150300-A1 | N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2015-10-08 | — | — | WO | disclosed |
| EP-2903440-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer CropScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014053450-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2014-04-10 | — | — | WO | disclosed |
| EP-2614053-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |
| CN-1162404-C | Process for the synthesis of intermediates useful in the preparation of tricyclic compounds | 先灵公司 | 2004-08-18 | — | — | CN | disclosed |
| CN-1326444-A | Process for the synthesis of intermediates useful in the preparation of tricyclic compounds | SCHERING CORP (US) | 2001-12-12 | — | — | CN | disclosed |
| US-4943583-A | PESTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1990-07-24 | — | — | US | disclosed |
| US-4923781-A | STORAGE STABILITY, CONTRAST, HIGH DENSITY, PHOTOSENSITIVITY | FUJI PHOTO FILM CO., LTD. (JP) | 1990-05-08 | — | — | US | disclosed |
| US-4871757-A | PESTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-10-03 | — | — | US | disclosed |
| US-4524168-A | AZO DYES | CIBA-GEIGY CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| US-4205087-A | ANTIARTHRITIC AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-05-27 | — | — | US | disclosed |