Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9652016 | 0.81 | LMNA (0.36) | HSD17B10MAPTHPGDPKMALDH1A1 | |
| SCHEMBL28363774 | 0.69 | TSHR (0.40) | CYP2C9CYP2C19TSHRHPGDCYP1A2 | |
| Butane SCHEMBL7456611 | 0.68 | EPHX1 (0.46) | CYP2C9CYP2C19MAPTRAB9ACYP1A2 | |
| SCHEMBL8825857 | 0.68 | TSHR (0.37) | CYP2C9CYP2C19HSD17B10MMP2MMP8 | |
| SCHEMBL28980086 | 0.68 | ADRB2 (0.42) | CYP2C9CYP2C19TSHRRAB9AHPGD | |
| SCHEMBL8826071 | 0.68 | MAPT (0.35) | CYP2C9CYP2C19HSD17B10MMP2MMP8 | |
| SCHEMBL9638237 | 0.68 | CA1 (0.34) | CYP2C9MAPTNPC1CYP1A2CYP3A4 | |
| 1,4-Dichlorobenzene SCHEMBL27265166 | 0.67 | LMNA (0.57) | HSD17B10TSHRMAPTNPC1CYP3A4 | |
| SCHEMBL10784200 | 0.67 | HSD17B10 (0.68) | CYP2C9CYP2C19HSD17B10MMP2MMP8 | |
| SCHEMBL8825971 | 0.66 | TSHR (0.35) | CYP2C9CYP2C19HSD17B10TSHRMAPT |
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-2012054807-A2 | VACCINES COMPRISING BISPHOSPHONATE AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-26 | — | — | WO | disclosed |