Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27494967 | 0.87 | HDAC4 (0.44) | AOC3HDAC4HDAC2HDAC8CA12 | |
| SCHEMBL10711287 | 0.85 | NR1I2 (0.39) | ACHEAOC3CYP19A1FBP1PSEN1 | |
| SCHEMBL598866 | 0.83 | HDAC4 (0.55) | ACHEKMT2AAOC3CYP19A1HDAC4 | |
| SCHEMBL10409370 | 0.82 | TRPA1 (0.46) | ACHEKMT2AAOC3CYP19A1HDAC4 | |
| SCHEMBL20922645 | 0.82 | TAAR1 (0.46) | ACHEKMT2AAOC3CYP19A1ACP3 | |
| SCHEMBL7630768 | 0.82 | HDAC4 (0.41) | HDAC4HDAC2HDAC8CA2CA9 | |
| SCHEMBL9658652 | 0.82 | HDAC4 (0.41) | AOC3HDAC4HDAC2HDAC8RIPK1 | |
| SCHEMBL9658414 | 0.80 | ENPP3 (0.43) | TAS1R3TAS1R1PSEN1PSEN2APH1B | |
| SCHEMBL15093694 | 0.80 | ACP3 (0.45) | KMT2AACP3 | |
| SCHEMBL5081816 | 0.80 | TAS1R3 (0.42) | TAS1R3TAS1R1ACHEAOC3CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3461824-A1 | BRUTON'S TYROSINE KINASE INHIBITORS | Biogen MA Inc. (US) | 2019-04-03 | — | — | EP | disclosed |
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |
| CN-1926090-A | Process for the carbonylation of a conjugated diene | SHELL INT RESEARCH (NL) | 2007-03-07 | — | — | CN | disclosed |
| CN-1926091-A | Process for the carbonylation of ethylenically or acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 2007-03-07 | — | — | CN | disclosed |
| CN-1795164-A | Process for the carbonylation of a conjugated diene | SHELL INT RESEARCH (NL) | 2006-06-28 | — | — | CN | disclosed |
| CN-1795159-A | Method for hydrocarboxylation of ethylenically unsaturated carboxylic acids | SHELL INT RESEARCH (NL) | 2006-06-28 | — | — | CN | disclosed |
| CN-1215037-C | Process for the carbonylation of ethylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 2005-08-17 | — | — | CN | disclosed |
| EP-1548037-A2 | Random propylene-ethylene copolymers | Basell Polyolefine GmbH (DE) | 2005-06-29 | — | — | EP | disclosed |
| CN-1420860-A | Process for the carbonylation of ethylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 2003-05-28 | — | — | CN | disclosed |
| EP-1250365-A2 | TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS | Basell Polypropylen GmbH (DE) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001048034-A2 | TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2001-07-05 | — | — | WO | disclosed |
| US-5157182-A | Conversion of ortho-ethyltoluene to indene | AMOCO CORPORATION (US) | 1992-10-20 | — | — | US | disclosed |