Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL935657 | 0.87 | — | — | |
| SCHEMBL6650982 | 0.84 | CYP3A4 (0.46) | CYP3A4HTR2ASLC6A4KCNH2HTR2C | |
| Formic Acid Methyl Ester SCHEMBL28071278 | 0.84 | HTR2A (0.40) | MAPK1CYP3A4HTR2ASLC6A4KCNH2 | |
| Formic Acid SCHEMBL27999300 | 0.78 | PDE10A (0.47) | CYP3A4HTR2ATSHRHTR2CHTR2B | |
| 2,5-Dichlorofluorobenzene SCHEMBL27282405 | 0.77 | TDP1 (0.43) | ERN1CYP3A4HTR2ASLC6A4KCNH2 | |
| Formic Acid SCHEMBL27295959 | 0.71 | ACHE (0.71) | ERN1TSHRHTTGAA | |
| 1,4-Dichlorobenzene SCHEMBL27440392 | 0.71 | HSD17B10 (0.58) | MAPK1ERN1CYP3A4TSHRTDP1 | |
| SCHEMBL11114087 | 0.71 | SRD5A2 (0.52) | MAPK1TDP1NPC1LMNAHTT | |
| SCHEMBL91418 | 0.70 | — | — | |
| SCHEMBL30167594 | 0.70 | — | — |
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-103298474-B | Heterocyclic compound and application thereof | 无限药品股份有限公司 | 2016-06-29 | — | — | CN | disclosed |