Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28508187 | 0.82 | TLR8 (0.48) | MAPTTSHRKDM4EALDH1A1HPGD | |
| SCHEMBL28510573 | 0.80 | TLR8 (0.54) | CYP1A2TSHRNCF1CYP2C19TLR7 | |
| SCHEMBL28504818 | 0.80 | TLR8 (0.51) | MAPTSMN1; SMN2TSHRKDM4EALDH1A1 | |
| SCHEMBL28203089 | 0.78 | TLR8 (0.58) | MAPTSMN1; SMN2TSHRKDM4EALDH1A1 | |
| SCHEMBL22498767 | 0.78 | TLR8 (0.58) | MAPTSMN1; SMN2TSHRKDM4EALDH1A1 | |
| SCHEMBL29377718 | 0.78 | TLR8 (0.58) | MAPTSMN1; SMN2TSHRKDM4EALDH1A1 | |
| SCHEMBL28514142 | 0.78 | LMNA (0.52) | CYP1A2APPMAPTHTTSMN1; SMN2 | |
| SCHEMBL28503565 | 0.78 | LMNA (0.52) | CYP1A2APPMAPTHTTSMN1; SMN2 | |
| SCHEMBL28503550 | 0.78 | TLR8 (0.54) | CYP1A2MAPTKMT2ANCF1CYP2C19 | |
| SCHEMBL1458588 | 0.77 | TLR8 (0.57) | SMN1; SMN2TSHRTLR7LMNA |
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-108250142-B | Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity | 维尔斯达医疗公司 | 2021-01-26 | — | — | CN | disclosed |