Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL9350162 | 1.00 | HDAC1 (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL2327532 | 1.00 | HDAC1 (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL18704278 | 0.88 | CA2 (0.44) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL2323492 | 0.88 | CA2 (0.44) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL8863767 | 0.85 | GPR84 (0.48) | GRIK1GRIK2CA2GPR84FFAR1 | |
| SCHEMBL8612175 | 0.85 | GPR84 (0.48) | GRIK1GRIK2CA2GPR84FFAR1 | |
| SCHEMBL3958813 | 0.83 | HDAC1 (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL2322915 | 0.83 | ALDH1A1 (0.39) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL4745489 | 0.83 | ALDH1A1 (0.39) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL3199746 | 0.83 | ALDH1A1 (0.39) | HDAC1HDAC2CHRM1AKR1A1CHRM3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016016446-A1 | PROCESS FOR PREPARING 2-FLUOROPROPIONALDEHYDE | SANDOZ AG (CH) | 2016-02-04 | — | — | WO | claimed |
| EP-3773573-A1 | ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) | Morphic Therapeutic, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019200202-A1 | ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) | MORPHIC THERAPEUTIC, INC. (US) | 2019-10-17 | — | — | WO | disclosed |
| WO-2016016446-A1 | PROCESS FOR PREPARING 2-FLUOROPROPIONALDEHYDE | SANDOZ AG (CH) | 2016-02-04 | — | — | WO | disclosed |
| EP-2739625-A1 | CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-06-11 | — | — | EP | disclosed |
| WO-2013022814-A1 | CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| EP-0758328-A1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BTG INTERNATIONAL LIMITED (GB) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030673-A1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1995-11-16 | — | — | WO | disclosed |
| EP-0222413-B1 | NOVEL FORSKOLIN DERIVATIVES | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1992-02-05 | — | — | EP | disclosed |
| US-4954642-A | INOTROPIC, HYPOTENSIVE | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1990-09-04 | — | — | US | disclosed |
| EP-0271287-A2 | Quinoline dioic acids and amides | MERCK FROSST CANADA INC. (CA) | 1988-06-15 | — | — | EP | disclosed |
| EP-0222413-A2 | Novel forskolin derivatives | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1987-05-20 | — | — | EP | disclosed |