Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.60 |
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | MMP7 | P09237 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | MMP8 | P22894 | 1/20 | 0.56 |
| ▸ | MMP12 | P39900 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15314088 | 0.88 | IDH1 (0.54) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL13469343 | 0.87 | IDH1 (0.64) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL18427362 | 0.87 | IDH1 (0.64) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL13469336 | 0.87 | IDH1 (0.64) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL16622505 | 0.86 | IDH1 (0.51) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL13469357 | 0.85 | IDH1 (0.62) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL13469284 | 0.85 | IDH1 (0.62) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL23824153 | 0.83 | IDH1 (0.55) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL11990370 | 0.83 | IDH1 (0.55) | IDH1MMP1MMP3MMP7MMP9 | |
| SCHEMBL23823916 | 0.83 | IDH1 (0.55) | IDH1MMP1MMP3MMP7MMP9 |
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-2018051197-A1 | CHIRAL CYCLEN COMPOUNDS AND THEIR USES | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2018-03-22 | — | — | WO | disclosed |