Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1F | P30939 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24629791 | 0.88 | AAK1 (0.38) | HTR1AHTR1DHTR1FMEN1KMT2A | |
| SCHEMBL29769100 | 0.84 | MAPT (0.55) | HTR1AHTR1DHTR1FMEN1KMT2A | |
| SCHEMBL24630444 | 0.79 | HTR1A (0.45) | HTR1AHTR1DHTR1FMEN1KMT2A | |
| SCHEMBL24629797 | 0.79 | GAA (0.45) | HTR1AHTR1DHTR1FMAPTALDH1A1 | |
| SCHEMBL29769101 | 0.79 | GAA (0.45) | HTR1AHTR1DHTR1FMAPTALDH1A1 | |
| SCHEMBL566036 | 0.79 | LMNA (0.46) | HTR1AHTR1DHTR1FMEN1KMT2A | |
| SCHEMBL14647203 | 0.79 | CHRM2 (0.38) | HTR1AHTR1DHTR1FMEN1KMT2A | |
| SCHEMBL24629506 | 0.74 | ALDH1A1 (0.52) | MEN1KMT2AALDH1A1HTTRECQL | |
| SCHEMBL29769185 | 0.74 | ALDH1A1 (0.48) | MAPTALDH1A1HTTLMNA | |
| SCHEMBL29906739 | 0.72 | HTR1A (0.43) | HTR1AHTR1DHTR1FMAPTAAK1 |
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 |