Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18286925 | 0.83 | TDP1 (0.58) | ALDH1A1TDP1L3MBTL1HTTKMT2A | |
| SCHEMBL31119224 | 0.78 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL29603881 | 0.78 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL2088309 | 0.78 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL31119225 | 0.78 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL7159716 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL1161927 | 0.78 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| 2-Nitroanisole SCHEMBL186551 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1HTTKMT2A | |
| 2-Nitroanisole SCHEMBL29434934 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1HTTKMT2A | |
| 1,2-Dimethoxybenzene SCHEMBL27460764 | 0.77 | ALDH1A1 (0.84) | ALDH1A1TDP1L3MBTL1HTTKMT2A |
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-110035993-A | SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |