Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL119899 | 1.00 | TSHR (0.39) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL9820121 | 0.86 | MGAM (0.37) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL265822 | 0.81 | TSHR (0.50) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL374306 | 0.81 | ALDH1A1 (0.46) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL27799589 | 0.81 | TSHR (0.37) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL28873487 | 0.81 | MMP1 (0.31) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL27473691 | 0.81 | MMP1 (0.31) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL3186126 | 0.81 | ALDH1A1 (0.46) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL10334455 | 0.79 | TSHR (0.36) | TSHRHSD17B10MGAMGAASI | |
| SCHEMBL7949387 | 0.79 | ALDH1A1 (0.35) | TSHRHSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |