Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28024663 | 1.00 | TP53 (0.42) | TP53RECQLALDH1A1SMN1; SMN2HTR1A | |
| SCHEMBL28024673 | 1.00 | TP53 (0.42) | TP53RECQLALDH1A1SMN1; SMN2HTR1A | |
| SCHEMBL21452232 | 0.75 | TP53 (0.44) | TP53RECQLALDH1A1SMN1; SMN2GAA | |
| SCHEMBL1616342 | 0.75 | TP53 (0.41) | TP53RECQLALDH1A1SMN1; SMN2HTR1A | |
| SCHEMBL876859 | 0.74 | TP53 (0.44) | TP53GAATSHR | |
| SCHEMBL19479825 | 0.74 | CA1 (0.43) | TP53RECQLALDH1A1GAA | |
| SCHEMBL18239428 | 0.74 | CA1 (0.43) | TP53RECQLALDH1A1GAA | |
| SCHEMBL30479191 | 0.74 | CA1 (0.43) | TP53RECQLALDH1A1GAA | |
| SCHEMBL1617179 | 0.74 | CA1 (0.43) | TP53RECQLALDH1A1GAA | |
| Bromide SCHEMBL1617328 | 0.73 | TP53 (0.40) | TP53RECQLALDH1A1SMN1; SMN2HTR1A |
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-104837810-A | Ketamine derivatives | AUCKLAND UNISERVICES LTD | 2015-08-12 | — | — | CN | disclosed |