Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10574146 | 0.81 | CA1 (0.36) | CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL10586638 | 0.81 | CA1 (0.36) | CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL13933149 | 0.81 | CA1 (0.36) | CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL25845030 | 0.81 | CA1 (0.34) | SMN1; SMN2KMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL6278130 | 0.78 | CYP3A4 (0.43) | CYP3A4SLC6A4SLC6A3HTTCYP2D6 | |
| SCHEMBL6278259 | 0.73 | CYP3A4 (0.38) | CYP3A4SLC6A4SLC6A3HTTNPC1 | |
| SCHEMBL15890505 | 0.73 | L3MBTL1 (0.40) | CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL9298281 | 0.71 | PTAFR (0.38) | KMT2AMEN1 | |
| SCHEMBL4167404 | 0.70 | CA1 (0.40) | — | |
| SCHEMBL4996530 | 0.70 | CA1 (0.40) | — |
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-2005092907-A2 | MONOSACCHARIDE DERIVATIVES AS ANTI-CANCER AND ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2005-10-06 | — | — | WO | disclosed |