Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19154998 | 0.72 | GPR3 (0.55) | CYP3A4KDM4EALDH1A1GPR3TSPO | |
| SCHEMBL6008133 | 0.67 | GPR3 (0.44) | KDM4EALDH1A1GPR3TSPOPOLB | |
| SCHEMBL9824751 | 0.65 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRMAPTL3MBTL1 | |
| SCHEMBL27559456 | 0.64 | KMT2A (0.44) | KDM4EALDH1A1TSPOPOLBTSHR | |
| SCHEMBL28858948 | 0.61 | KDM4E (0.53) | CYP3A4KDM4EALDH1A1GPR3POLB | |
| SCHEMBL9731262 | 0.61 | IMPDH2 (0.47) | CYP3A4KDM4EALDH1A1POLBLMNA | |
| SCHEMBL11118968 | 0.61 | CYP3A4 (0.45) | CYP3A4TSHRL3MBTL1 | |
| SCHEMBL17473057 | 0.61 | CYP3A4 (0.45) | CYP3A4TSHRL3MBTL1 | |
| Hexamethylbenzene SCHEMBL28101399 | 0.60 | CYP3A4 (0.74) | CYP3A4ALDH1A1POLBTSHR | |
| SCHEMBL17473106 | 0.60 | CYP1A2 (0.40) | CYP3A4KDM4EALDH1A1POLBTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1204121-C | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2005-06-01 | — | — | CN | disclosed |
| CN-1253547-A | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2000-05-17 | — | — | CN | disclosed |