Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | NOD1 | Q9Y239 | 6/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL248853 | 0.76 | SMN1; SMN2 (0.42) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL2952899 | 0.76 | NOS2 (1.00) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL20143511 | 0.74 | HTT (0.55) | HTTNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL22248139 | 0.74 | NOS2 (0.61) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL4027582 | 0.74 | SMN1; SMN2 (0.61) | NOS2HTTNOD1CXCL8NPC1 | |
| SCHEMBL23038778 | 0.74 | NOS2 (0.61) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL18634230 | 0.74 | NOS2 (0.61) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL19044352 | 0.74 | SMN1; SMN2 (0.41) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL149707 | 0.74 | SMN1; SMN2 (0.61) | NOS2CYP1A2CYP2D6HTTCXCR4 | |
| SCHEMBL30621933 | 0.74 | SMN1; SMN2 (0.61) | NOS2CYP1A2CYP2D6HTTCXCR4 |
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-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | disclosed |