Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980614 | 0.75 | GSK3B (0.50) | MEN1KMT2ALMNAPOLBGSK3B | |
| SCHEMBL5066568 | 0.74 | CYP19A1 (0.59) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL10992062 | 0.74 | KDM4E (0.61) | ALDH1A1NPC1RAB9ATSHRGAA | |
| Hydrochloric Acid SCHEMBL412860 | 0.73 | CYP19A1 (0.57) | ALDH1A1MEN1KMT2APOLBGAA | |
| SCHEMBL6299572 | 0.73 | CYP19A1 (0.52) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11001637 | 0.72 | KDM4E (0.45) | NPC1MEN1KMT2ATSHRGSK3B | |
| SCHEMBL10563462 | 0.71 | KDM4E (0.52) | MEN1KMT2ALMNATSHRGAA | |
| SCHEMBL6556588 | 0.71 | MEN1 (0.47) | ALDH1A1MEN1KMT2ALMNAPOLB | |
| SCHEMBL9714015 | 0.70 | LMNA (0.49) | ALDH1A1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL407191 | 0.70 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016199172-A2 | NOVEL COMPOUNDS AND USES THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-15 | — | — | WO | disclosed |
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |