Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10569602 | 1.00 | CYP1A2 (0.43) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL378835 | 0.83 | CYP1A2 (0.46) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL2371928 | 0.83 | CYP1A2 (0.46) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL2372942 | 0.83 | CYP1A2 (0.46) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL9587221 | 0.80 | MAPT (0.42) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL9586541 | 0.80 | MAPT (0.42) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL9484935 | 0.78 | ALDH1A1 (0.42) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL7782499 | 0.78 | CES1 (0.52) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL11502589 | 0.76 | CYP1A2 (0.41) | CYP1A2KMT2AMAPTKCNN4CYP2C19 | |
| SCHEMBL12083438 | 0.76 | KCNN4 (0.60) | KMT2AMAPTKCNN4HDAC3HDAC4 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973774-B1 | 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES | BAYER AG (DE) | 2003-01-22 | — | — | EP | disclosed |
| EP-0579615-B1 | NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-07-04 | — | — | EP | disclosed |
| EP-0973774-A1 | 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES | BAYER AG (DE) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998040384-A1 | 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-17 | — | — | WO | disclosed |
| EP-0579615-A1 | NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) | 1994-01-26 | — | — | EP | disclosed |
| WO-1992016528-A1 | NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM KG (DE) | 1992-10-01 | — | — | WO | disclosed |
| US-4952683-A | WOUND HEALING AGENTS | SOLCO BASEL AG (CH) | 1990-08-28 | — | — | US | disclosed |
| EP-0146810-A2 | Process for the preparation of sphingosin derivatives | Solco Basel AG (CH) | 1985-07-03 | — | — | EP | disclosed |
| EP-0062887-B1 | INDOLINONE-2 DERIVATIVES, PROCESS FOR THEIR PREPARATION AND NEURO-ANABOLIC MEDIUMS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-07-11 | — | — | EP | disclosed |
| EP-0062887-A1 | Indolinone-2 derivatives, process for their preparation and neuro-anabolic mediums containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-10-20 | — | — | EP | disclosed |
| US-RE30415-E | ANTIINFLAMMATORY AGENTS, ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| US-RE30314-E | ANTIINFLAMMATORY, ANTITHROMBOTIC | ELI LILLY AND COMPANY (US) | 1980-06-24 | — | — | US | disclosed |
| US-4133884-A | Substituted pyrroloquinoxalinones and diones used in treating inflammation in warm blooded mammals | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4087527-A | ANTIINFLAMMATORY AND ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1978-05-02 | — | — | US | disclosed |
| US-4075206-A | ANTIINFLAMMATORY, ANTITHROMBOTIC | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |