Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2448128 | 0.94 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2317915 | 0.91 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2442492 | 0.90 | ALDH1A1 (0.51) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2446700 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2447811 | 0.88 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2445090 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL3347378 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL3354230 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL2321775 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 | |
| SCHEMBL3348041 | 0.78 | POLB (0.63) | ALDH1A1MAPTPOLBL3MBTL1MAPK1 |
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-2352733-A1 | BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010060532-A1 | BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN | MERCK PATENT GMBH (DE) | 2010-06-03 | — | — | WO | disclosed |