Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2442682 | 0.83 | KDM4E (0.47) | ALDH1A1HSD17B10HDAC1HDAC6NPC1 | |
| SCHEMBL902623 | 0.82 | ALDH1A1 (0.66) | ALDH1A1NR4A1NR4A2NR4A3HSD17B10 | |
| SCHEMBL7567042 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NR4A2HSD17B10HPGDMEN1 | |
| SCHEMBL7568155 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NR4A1NR4A2NR4A3HPGD | |
| SCHEMBL7570690 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NR4A1NR4A2NR4A3HSD17B10 | |
| SCHEMBL7568147 | 0.78 | KDM4E (0.48) | ALDH1A1HSD17B10PARP1NPC1RAB9A | |
| SCHEMBL7572756 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HSD17B10PARP1HPGDMEN1 | |
| SCHEMBL12330259 | 0.78 | HDAC1 (0.51) | ALDH1A1HDAC1HDAC6NPC1RAB9A | |
| Methane SCHEMBL8598912 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HSD17B10PARP1HPGDMEN1 | |
| SCHEMBL13426018 | 0.74 | PDE3B (0.40) | ALDH1A1HSD17B10HPGDMEN1TP53 |
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-2008012782-A2 | LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2008-01-31 | — | — | WO | disclosed |