Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6263184 | 1.00 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL7546515 | 0.88 | CES1 (0.45) | CES1CES2TSHRTHRBFNTA | |
| SCHEMBL540687 | 0.84 | THRB (0.47) | CES1CES2TSHRTHRBFNTA | |
| SCHEMBL5109759 | 0.82 | ALDH1A1 (0.35) | FFAR3TSHRALDH1A1L3MBTL1 | |
| SCHEMBL10782373 | 0.81 | MAPK10 (0.40) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL10782367 | 0.81 | MAPK10 (0.40) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL16212611 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL8600596 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Nitrous Acid SCHEMBL8674729 | 0.80 | THRB (0.40) | CES1CES2TSHRTHRBFNTA | |
| SCHEMBL3923583 | 0.77 | FFAR3 (0.37) | HDAC3HDAC1HDAC2HDAC8FFAR3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070053-B1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMA (US) | 2005-10-26 | — | — | EP | claimed |
| EP-1070053-A4 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMA (US) | 2001-04-18 | — | — | EP | claimed |
| EP-1070053-A1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-01-24 | — | — | EP | claimed |
| US-6136982-A | Synthesis of 3-amino-2-chloro-4-methylpyridine from acetone and ethyl cyanoacetate | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-10-24 | — | — | US | claimed |
| WO-2000043364-A1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| EP-1070053-B1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMA (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1070053-A4 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMA (US) | 2001-04-18 | — | — | EP | disclosed |
| EP-1070053-A1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-01-24 | — | — | EP | disclosed |
| US-6136982-A | Synthesis of 3-amino-2-chloro-4-methylpyridine from acetone and ethyl cyanoacetate | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-10-24 | — | — | US | disclosed |
| WO-2000043364-A1 | SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |