Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 13/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 13/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14521585 | 0.91 | TAS1R3 (0.47) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL8899976 | 0.86 | MMP1 (0.48) | CA1CA2CA12MMP1MMP2 | |
| SCHEMBL14268998 | 0.85 | TAS1R3 (0.40) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL13187499 | 0.83 | DPP8 (0.50) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL25099130 | 0.80 | CNR2 (0.38) | TAS1R3TAS1R1CA1CA2CA12 | |
| SCHEMBL25099320 | 0.80 | MMP1 (0.41) | TAS1R3TAS1R1CA1CA2CA12 | |
| SCHEMBL25099321 | 0.80 | DPP7 (0.40) | CA1CA2CA12MMP1MMP2 | |
| SCHEMBL825584 | 0.80 | TDP1 (0.44) | CA1CA2CA12MMP1MMP2 | |
| SCHEMBL27368799 | 0.79 | TSHR (0.48) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL24046726 | 0.78 | CA1 (0.42) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321246-A2 | DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-05-16 | — | — | EP | disclosed |