Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20670595 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL648210 | 0.76 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL4097033 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL10656262 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL27836513 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL24424686 | 0.75 | ALDH1A1 (0.37) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL9041416 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL24423946 | 0.74 | ADH1B (0.40) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL221403 | 0.73 | ALDH1A1 (0.81) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL8400085 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAMAPTHSD17B10 |
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 |