Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3219206 | 0.83 | SIGMAR1 (0.47) | ALDH1A1TSHRDRD2HTR2CNPC1 | |
| SCHEMBL2024493 | 0.68 | MEN1 (0.58) | ALDH1A1TSHRTNFNOD2NOD1 | |
| SCHEMBL16452796 | 0.64 | NPC1 (0.46) | ALDH1A1TSHRNPC1HPGDRAB9A | |
| SCHEMBL15242959 | 0.64 | ALDH1A1 (0.49) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL29761134 | 0.64 | ALDH1A1 (0.49) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL30138428 | 0.64 | CYP2D6 (0.46) | ALDH1A1NAMPTNPC1HPGDRAB9A | |
| SCHEMBL16448287 | 0.64 | ALDH1A1 (0.43) | ALDH1A1TSHRTNFNOD2NOD1 | |
| SCHEMBL30586343 | 0.64 | SIGMAR1 (0.47) | ALDH1A1TSHRTNFNOD2NOD1 | |
| SCHEMBL2056136 | 0.63 | ALDH1A1 (1.00) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL29687292 | 0.63 | ALDH1A1 (0.50) | ALDH1A1NAMPTNPC1HPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106414430-A | Pharmacologically active quinazolinedione derivatives | 奥赖恩公司 | 2017-02-15 | — | — | CN | disclosed |