Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10389234 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL27647138 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL291637 | 0.78 | ALDH1A1 (0.58) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL10404273 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL19925350 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL77922 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL29570427 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL8539483 | 0.76 | ALDH1A1 (0.56) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL19925327 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL28292473 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTTSHRHPGDMAOB |
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-6514996-B2 | Derivatives of benzofuran or benzodioxole | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2003-02-04 | — | — | US | disclosed |