Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552109 | 1.00 | MAPK1 (0.56) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL15923316 | 1.00 | MAPK1 (0.56) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL7389768 | 0.98 | MAPK1 (0.57) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL3415011 | 0.93 | MAPK1 (0.59) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL30674535 | 0.93 | MAPK1 (0.59) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL11312715 | 0.91 | MAPK1 (0.65) | MAPK1TSHRALOX15HSD17B10MAOB | |
| SCHEMBL27936389 | 0.91 | PRSS1 (0.55) | TSHRPRSS1 | |
| SCHEMBL27950428 | 0.91 | PRSS1 (0.55) | TSHRPRSS1 | |
| SCHEMBL27950450 | 0.89 | PRSS1 (0.53) | TSHRMAOBKMT2APRSS1 | |
| SCHEMBL1770655 | 0.87 | MAPK1 (0.61) | MAPK1TSHRALOX15HSD17B10MAOB |
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-110642684-B | Macrocyclic and cage-shaped molecules based on biphenyl arene and derivative compounds thereof, and synthetic method and application thereof | 天津师范大学 | 2022-07-26 | — | — | CN | disclosed |