Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NPY2R | P49146 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CCR2 | P41597 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24630108 | 0.88 | NPC1 (0.55) | ALDH1A1HPGDTSHRNPY2RKDM4E | |
| SCHEMBL15818617 | 0.80 | KDM4E (0.56) | ALDH1A1HPGDTSHRKDM4ERECQL | |
| SCHEMBL8150390 | 0.78 | HPGD (0.54) | ALDH1A1HPGDTSHRNPY2RMALT1 | |
| SCHEMBL24629992 | 0.75 | KDM4E (0.63) | ALDH1A1HPGDNPY2RKDM4ERECQL | |
| SCHEMBL31122602 | 0.74 | ALDH1A1 (0.60) | ALDH1A1TSHRMALT1KMT2AMAPT | |
| SCHEMBL24630252 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGDTSHRCYP2D6MEN1 | |
| SCHEMBL29769115 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGDTSHRCYP2D6MEN1 | |
| Trifluoroacetic Acid SCHEMBL7522281 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRNPY2RMALT1 | |
| SCHEMBL2531810 | 0.73 | GRM4 (0.66) | ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL27628316 | 0.73 | TSHR (0.53) | ALDH1A1HPGDTSHRMEN1LMNA |
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 |