Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL251357 | 0.97 | MGMT (0.40) | MGMTFBP1MMP1MMP2MMP9 | |
| SCHEMBL28400541 | 0.86 | LTA4H (0.36) | MGMTFBP1MMP1MMP2MMP9 | |
| SCHEMBL8471918 | 0.83 | MGMT (0.37) | MGMTFBP1MMP1MMP2MMP9 | |
| SCHEMBL141870 | 0.79 | LTA4H (0.50) | MGMTTSHRNPC1RAB9AKMT2A | |
| SCHEMBL4082360 | 0.79 | FBP1 (0.39) | MGMTFBP1MMP1MMP2MMP9 | |
| SCHEMBL10632672 | 0.78 | MGMT (0.35) | MGMT | |
| SCHEMBL2223084 | 0.78 | KDM4E (0.37) | MGMTFBP1MMP1MMP2MMP9 | |
| SCHEMBL6181286 | 0.76 | KMT2A (0.41) | MGMTHSD17B10NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL181927 | 0.74 | — | — | |
| SCHEMBL266567 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5086047-A | Controlling estrogen production; breast cancer | ROUSSEL UCLAF, DEPARTMENT DES BREVETS (FR) | 1992-02-04 | — | — | US | disclosed |