Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2552971 | 0.72 | PDPK1 (0.44) | PDPK1LOXL2CYP2A6SMPD3HSP90AA1 | |
| SCHEMBL3885226 | 0.71 | LOXL2 (0.66) | PDPK1LOXL2ALDH1A1TSHRNOS1 | |
| SCHEMBL722198 | 0.71 | PDPK1 (0.77) | PDPK1LOXL2ALDH1A1TSHRNOS1 | |
| SCHEMBL1068648 | 0.71 | LOXL2 (0.55) | PDPK1LOXL2ALDH1A1TSHRNOS1 | |
| SCHEMBL1653986 | 0.70 | PDPK1 (0.68) | PDPK1LOXL2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL102331 | 0.69 | PDPK1 (0.59) | PDPK1LOXL2ALDH1A1TSHRNOS1 | |
| Hydrochloric Acid SCHEMBL15911351 | 0.69 | PIK3CD (0.39) | ALDH1A1TSHRNOS1HSD17B10CYP2A6 | |
| SCHEMBL30469264 | 0.69 | PDPK1 (0.60) | PDPK1LOXL2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2715410 | 0.69 | CYP2A6 (0.53) | PDPK1LOXL2ALDH1A1TSHRNOS1 | |
| SCHEMBL2315490 | 0.69 | PDPK1 (0.60) | PDPK1LOXL2ALDH1A1TSHRHSD17B10 |
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-102365277-B | JUN N-terminal kinase inhibitors | ELAN PHARMACEUTICALS, INC. (US) | 2015-11-25 | — | — | CN | disclosed |