Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28820189 | 0.93 | ABCB1 (0.49) | ALDH1A1TSHRABCB1MAPTTHRB | |
| SCHEMBL29196239 | 0.89 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTKDM4EGAA | |
| SCHEMBL27669134 | 0.85 | ABCB1 (0.46) | ALDH1A1TSHRABCB1MAPTTHRB | |
| SCHEMBL4281903 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTKDM4EGAA | |
| SCHEMBL4277471 | 0.84 | ABCB1 (0.52) | ALDH1A1ABCB1MAPTTHRBGPR55 | |
| SCHEMBL301540 | 0.84 | ALDH1A1 (0.66) | ALDH1A1TSHRMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL4284947 | 0.82 | ALDH1A1 (0.51) | ALDH1A1TSHRMAPTHIF1AXDH | |
| SCHEMBL27648803 | 0.82 | ABCB1 (0.48) | ALDH1A1ABCB1MAPTTHRBGPR55 | |
| SCHEMBL5696011 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL14974443 | 0.81 | CA12 (0.45) | ALDH1A1TSHRABCB1MAPTTHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314888-B1 | Compounds and medicinal use thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-01-01 | — | — | US | disclosed |
| CN-1325376-A | Novel compound and medical use thereof | TOYAMA CHEMICAL CO LTD (JP) | 2001-12-05 | — | — | CN | disclosed |
| EP-1127869-A1 | NOVEL COMPOUNDS AND MEDICINAL USE THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2001-08-29 | — | — | EP | disclosed |