Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14934242 | 0.81 | PARP1 (0.54) | HCAR3HDAC1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL28068780 | 0.81 | PDK1 (0.46) | PDK1HCAR3HDAC1ALDH1A1MAPT | |
| SCHEMBL14934212 | 0.78 | HCAR3 (0.42) | HCAR3HDAC1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL29724683 | 0.77 | CASP6 (0.60) | PDK1HCAR3CYP1A2LMNA | |
| SCHEMBL19643040 | 0.77 | CASP6 (0.60) | PDK1HCAR3CYP1A2LMNA | |
| SCHEMBL28829330 | 0.77 | ALDH1A1 (0.53) | PDK1HDAC1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL5882061 | 0.77 | VCAM1 (0.57) | PDK1ALDH1A1MAPTHPGDHTT | |
| SCHEMBL13816452 | 0.76 | PDK1 (0.50) | PDK1HCAR3ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL14428567 | 0.74 | PDK1 (0.62) | PDK1HCAR3ALDH1A1MAPTHSP90AA1 | |
| SCHEMBL3841850 | 0.74 | KMT2A (0.63) | PDK1ALDH1A1MAPTHSP90AA1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103086925-B | Benzoyl urea derivative with active anticancer and its production and use | 浙江海正药业股份有限公司 | 2016-07-06 | — | — | CN | claimed |
| CN-103086925-B | Benzoyl urea derivative with active anticancer and its production and use | 浙江海正药业股份有限公司 | 2016-07-06 | — | — | CN | disclosed |