Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30924863 | 0.81 | TSHR (0.61) | ALDH1A1CYP3A4TSHRTDP1ACHE | |
| SCHEMBL2506281 | 0.81 | TSHR (0.61) | ALDH1A1CYP3A4TSHRTDP1ACHE | |
| SCHEMBL8034561 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL1597428 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL15270084 | 0.75 | PKM (0.46) | CYP3A4TSHRHTTBLMNPSR1 | |
| SCHEMBL8809244 | 0.75 | ACHE (0.50) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL17653955 | 0.75 | ACHE (0.50) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL84557 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL11466249 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL8076108 | 0.74 | TSHR (0.52) | ALDH1A1CYP3A4TSHRTDP1BLM |
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-2009067547-A1 | POLO-LIKE KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | WO | disclosed |