Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31172257 | 0.86 | PTPN1 (0.55) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL28612397 | 0.84 | MAOB (0.51) | PDK1PDK2PDK3PDK4SIRT2 | |
| SCHEMBL29910262 | 0.83 | PDK1 (0.65) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL22920172 | 0.83 | PDK1 (0.65) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL595941 | 0.81 | MAOB (0.59) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL30108116 | 0.81 | PDK1 (0.42) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL26507166 | 0.81 | PDK1 (0.42) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL29730783 | 0.81 | RAB9A (0.48) | RAB9ANPC1KAT6AALDH1A1HTT | |
| SCHEMBL6470532 | 0.80 | HTT (0.58) | RAB9ANPC1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5888968 | 0.78 | HPGD (0.49) | NPC1KAT6AALDH1A1HTTSIRT2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113264874-A | Substituted diaryl urea derivative and preparation method and application thereof | 华东理工大学 | 2021-08-17 | — | — | CN | disclosed |