Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3708328 | 0.86 | TDP1 (0.66) | TDP1SMN1; SMN2MAPK1L3MBTL1FFAR1 | |
| SCHEMBL304176 | 0.81 | TDP1 (0.78) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 | |
| SCHEMBL29551630 | 0.81 | TDP1 (0.58) | TDP1SMN1; SMN2MAPK1L3MBTL1FFAR1 | |
| SCHEMBL28207503 | 0.80 | TDP1 (0.75) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 | |
| Bicarbonate SCHEMBL7699565 | 0.80 | TDP1 (0.75) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28588274 | 0.80 | TDP1 (0.75) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 | |
| SCHEMBL305392 | 0.78 | TDP1 (0.68) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 | |
| SCHEMBL5696420 | 0.78 | FFAR1 (0.62) | FFAR1CYP2E1CYP2A6CYP2B6FFAR4 | |
| SCHEMBL6789269 | 0.76 | GABBR2 (0.42) | MAPK1L3MBTL1ALDH1A1CYP2E1CYP2A6 | |
| SCHEMBL28450115 | 0.76 | TDP1 (0.64) | TDP1MAPK1L3MBTL1FFAR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670749-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005016870-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |