Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3207815 | 0.80 | ALDH1A1 (0.38) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL3193163 | 0.80 | GPR35 (0.40) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL3195504 | 0.80 | HSPD1 (0.50) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL8030820 | 0.79 | MITF (0.47) | ALDH1A1LMNAMAPTRAB9AHTT | |
| SCHEMBL7360418 | 0.78 | MITF (0.46) | ALDH1A1LMNAMAPTRAB9AHTT | |
| SCHEMBL6286816 | 0.77 | GAA (0.46) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL3190863 | 0.77 | SMN1; SMN2 (0.47) | ALDH1A1MAPTSMN1; SMN2CYP1A2MEN1 | |
| SCHEMBL7360414 | 0.77 | MITF (0.45) | ALDH1A1LMNAMAPTRAB9AHTT | |
| SCHEMBL27041721 | 0.73 | ALDH1A1 (0.38) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL12703143 | 0.72 | GRM2 (0.46) | ALDH1A1NPC1LMNAMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7678909-B1 | 2-[2-(3-Amino-cyclohexyl)-5-benzyl-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridin-3-ylmethyl]-benzonitrile; type 2 diabetes mellitus, diabetic dislipidemia, impaired glucose tolerance; female infertility, osteoporosis, male contraception and neurological disorders | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-16 | — | — | US | disclosed |
| US-7169926-B1 | Dipeptidyl peptidase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-30 | — | — | US | disclosed |