Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 2/20 | 0.37 |
| ▸ | ATP4B | P51164 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL694798 | 0.79 | KDM4E (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL7510817 | 0.79 | RAB9A (0.44) | ALDH1A1MEN1KMT2ARAB9ATSHR | |
| SCHEMBL7507911 | 0.79 | CYP19A1 (0.42) | ALDH1A1MEN1KMT2ARAB9ATSHR | |
| SCHEMBL315880 | 0.77 | PDPK1 (0.43) | ALDH1A1KMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL679545 | 0.76 | NOTUM (0.37) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL1436801 | 0.71 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ARAB9ATSHR | |
| SCHEMBL9568881 | 0.71 | DYRK1A (0.43) | — | |
| SCHEMBL25488567 | 0.69 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ARAB9ATSHR | |
| SCHEMBL2092347 | 0.69 | AHR (0.46) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL2750624 | 0.69 | RAB9A (0.38) | ALDH1A1MEN1KMT2ARAB9ANPC1 |
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-101730696-B | 3-aza-bicyclo [3.3.0] octane compounds | ACTELION PHARMACEUTICALS LTD | 2013-01-09 | — | — | CN | disclosed |