Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769152 | 1.00 | KDR (0.57) | KDRMCHR1CHRM2ADRA2ACHRM1 | |
| SCHEMBL29769164 | 0.80 | KMT2A (0.67) | KDM4EMEN1KMT2AMAPTHPGD | |
| SCHEMBL24629452 | 0.80 | KMT2A (0.67) | KDM4EMEN1KMT2AMAPTHPGD | |
| SCHEMBL21102892 | 0.80 | KDR (0.52) | KDRMAOARORCKDM4EMAPT | |
| SCHEMBL24629934 | 0.79 | KDR (0.53) | KDRMCHR1CHRM2ADRA2ACHRM1 | |
| SCHEMBL29769200 | 0.79 | KDR (0.53) | KDRMCHR1CHRM2ADRA2ACHRM1 | |
| SCHEMBL6814916 | 0.79 | RORC (0.60) | KDRMCHR1CHRM2ADRA2ACHRM1 | |
| SCHEMBL22069582 | 0.76 | P2RX4 (0.50) | RORCMEN1KMT2AMAPTHPGD | |
| SCHEMBL14209512 | 0.76 | KDR (0.60) | KDRMCHR1HTR2AHTR2CMAOA | |
| SCHEMBL22069691 | 0.75 | PNLIP (0.60) | MAPT |
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 |