Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 3-Chloroaniline SCHEMBL28176106 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTGAANPC1NPSR1 | |
| SCHEMBL28294170 | 0.77 | RXFP1 (0.53) | ALDH1A1MAPTGAANPC1LMNA | |
| SCHEMBL27574865 | 0.76 | GLA (0.53) | ALDH1A1NPC1LMNAHTTRAB9A | |
| SCHEMBL27627079 | 0.76 | HCAR2 (0.52) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL27718558 | 0.74 | TAAR1 (0.45) | ALDH1A1NPC1LMNAHTTRAB9A | |
| SCHEMBL27720152 | 0.74 | TAAR1 (0.45) | ALDH1A1NPC1RAB9ATRPV1HPGD | |
| SCHEMBL2757934 | 0.73 | GAA (0.46) | ALDH1A1GAANPC1LMNAHTT | |
| Propionic Acid SCHEMBL27503811 | 0.73 | GAA (0.49) | ALDH1A1MAPTGAALMNAHTT | |
| SCHEMBL27996452 | 0.72 | GAA (0.44) | ALDH1A1GAANPC1LMNAHTT | |
| SCHEMBL28830732 | 0.71 | PSEN1 (0.44) | ALDH1A1MAPTGAANPC1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102917590-B | Tricyclic compound and the PBK inhibitor containing described compound | ONCOTHERAPY SCIENCE, INC. (JP) | 2016-02-17 | — | — | CN | disclosed |
| CN-102917590-A | Trycyclic compounds and pbk inhibitors containing the same | ONCOTHERAPY SCIENCE INC | 2013-02-06 | — | — | CN | disclosed |