Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | FBP1 | P09467 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL15362563 | 0.89 | ALDH1A1 (0.68) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL11228856 | 0.88 | ALDH1A1 (0.66) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL30905074 | 0.81 | ALDH1A1 (0.59) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL30106089 | 0.81 | ALDH1A1 (0.59) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL8479039 | 0.81 | ALDH1A1 (0.73) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL10974071 | 0.78 | ALDH1A1 (0.69) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL12892266 | 0.77 | PTGS2 (0.43) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL30905061 | 0.76 | NPC1 (0.59) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL11659835 | 0.76 | ALDH1A1 (0.58) | ALDH1A1FBP1MEN1KMT2ATDP1 | |
| SCHEMBL2454347 | 0.76 | — | — |
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-1450796-B1 | BENZOTHIAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-04-09 | — | — | EP | disclosed |
| US-6596718-B1 | A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |