Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 4/20 | 0.53 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | SCD | O00767 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13457261 | 0.93 | ALDH1A1 (0.57) | ITKLCKALDH1A1LMNAHPGD | |
| SCHEMBL13457002 | 0.89 | ALDH1A1 (0.63) | ITKLCKALDH1A1LMNAHPGD | |
| SCHEMBL13457638 | 0.83 | ITK (0.57) | ITKALDH1A1LMNAHPGDABL1 | |
| SCHEMBL13457631 | 0.81 | ABL1 (0.57) | ITKLCKABL1HSD17B1HSD17B2 | |
| SCHEMBL13457014 | 0.81 | SCD (0.77) | ALDH1A1LMNAHPGDABL1SCD | |
| SCHEMBL13457119 | 0.78 | LRRK2 (0.64) | ITKALDH1A1ABL1SCDMEN1 | |
| SCHEMBL13456998 | 0.77 | NPC1 (0.71) | ITKALDH1A1LMNAHPGDABL1 | |
| SCHEMBL13457341 | 0.77 | MAPT (0.67) | ITKALDH1A1LMNAHPGDABL1 | |
| SCHEMBL13457004 | 0.76 | HTT (0.65) | ALDH1A1ABL1SCDMEN1KMT2A | |
| SCHEMBL13457568 | 0.76 | ABL1 (0.64) | ITKABL1KITPDGFRAMEN1 |
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-2010024903-A1 | BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-03-04 | — | — | WO | disclosed |