Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769200 | 1.00 | KDR (0.53) | KDRCHRM2ADRA2ACHRM1ADRA2B | |
| SCHEMBL29769183 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL24629451 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL24629958 | 0.79 | KDR (0.57) | KDRCHRM2ADRA2ACHRM1ADRA2B | |
| SCHEMBL29769152 | 0.79 | KDR (0.57) | KDRCHRM2ADRA2ACHRM1ADRA2B | |
| SCHEMBL7499427 | 0.77 | ALDH1A1 (0.56) | MCHR1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL24630015 | 0.77 | LMNA (0.46) | MCHR1ALDH1A1KDM4EGAAMEN1 | |
| SCHEMBL21601484 | 0.76 | MAPK1 (0.51) | MAOAALDH1A1KDM4EGAAMAPK1 | |
| SCHEMBL21601488 | 0.75 | KDM4E (0.55) | CHRM1ALDH1A1KDM4EGAAMAPK1 | |
| SCHEMBL4015052 | 0.74 | PDK2 (0.43) | CHRM2HTR2CMAOAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022150574-A1 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |