Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2659395 | 0.86 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL29310309 | 0.86 | CYP19A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL12593937 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL12326844 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL430969 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL11513166 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL76981 | 0.77 | TSHR (0.56) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL8467266 | 0.77 | TSHR (0.56) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL25276334 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL2144780 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TDP1CYP3A4TSHRGPR35 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |