Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2448634 | 0.85 | ALDH1A1 (0.60) | ALDH1A1MAPK1TP53AKR1B1MAPT | |
| SCHEMBL12301081 | 0.80 | KMT2A (0.70) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL3347222 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL26098464 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL31666079 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL26099431 | 0.75 | MAPT (0.70) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL31666080 | 0.73 | TDP1 (0.56) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL26100476 | 0.73 | TDP1 (0.56) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL3347940 | 0.73 | MAPT (0.48) | ALDH1A1MAPK1TP53MAPTPOLB | |
| SCHEMBL3348048 | 0.72 | ALDH1A1 (0.49) | ALDH1A1MAPK1TP53MAPTPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010060532-A1 | BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN | MERCK PATENT GMBH (DE) | 2010-06-03 | — | — | WO | disclosed |