Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL18088829 | 1.00 | MCL1 (0.61) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL6819396 | 0.84 | RAB9A (0.66) | ALDH1A1MAPTTSHRSMN1; SMN2POLB | |
| SCHEMBL5227380 | 0.83 | SMN1; SMN2 (0.47) | MCL1ALDH1A1ALOX15MAPTSMN1; SMN2 | |
| SCHEMBL5224230 | 0.82 | NAMPT (0.48) | ALDH1A1ALOX15HDAC3HDAC1HDAC2 | |
| SCHEMBL28270381 | 0.81 | MCL1 (0.71) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL5229725 | 0.80 | MEN1 (0.45) | ALDH1A1SMN1; SMN2POLBNPC1RAB9A | |
| SCHEMBL6365954 | 0.80 | ALDH1A1 (0.45) | MCL1ALDH1A1ALOX15MAPTTSHR | |
| SCHEMBL18064949 | 0.79 | MCL1 (0.73) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL3716281 | 0.79 | P4HTM (0.53) | ALDH1A1HDAC1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29768539 | 0.79 | P4HTM (0.53) | ALDH1A1HDAC1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49240-E1 | Inhibitors of histone deacetylase | THE GENERAL HOSPITAL CORPORATION (US) | 2022-10-11 | — | — | US | disclosed |