Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111139 | 0.83 | ALDH1A1 (0.47) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL245468 | 0.83 | MEN1 (0.60) | KEAP1ALDH1A1SMN1; SMN2POLBHSD17B1 | |
| SCHEMBL28111669 | 0.82 | ADRA2C (0.52) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL28111640 | 0.80 | NPC1 (0.51) | ALDH1A1SMN1; SMN2POLB | |
| Diphenylmethanol SCHEMBL6670755 | 0.80 | LMNA (0.55) | KEAP1ALDH1A1SMN1; SMN2POLBCYP3A4 | |
| SCHEMBL10100499 | 0.79 | KEAP1 (0.55) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL17295589 | 0.79 | TSHR (0.48) | SMN1; SMN2EGFRPIK3CACYP3A4CYP2D6 | |
| SCHEMBL13139256 | 0.79 | ALDH1A1 (0.51) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL7108854 | 0.79 | ALDH1A1 (0.51) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL6500176 | 0.79 | SMN1; SMN2 (0.55) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |