Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL10258195 | 0.86 | NLRP3 (0.43) | P2RX7ALDH1A1HSD17B10SMN1; SMN2L3MBTL1 | |
| SCHEMBL14194529 | 0.85 | CHRNA7 (0.41) | ALDH1A1KDM4ESMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL4513880 | 0.84 | ALDH1A1 (0.37) | ALDH1A1KDM4ESMN1; SMN2LMNAMTNR1A | |
| SCHEMBL2403273 | 0.82 | L3MBTL1 (0.40) | P2RX7ALDH1A1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL13949103 | 0.81 | P2RX7 (0.45) | P2RX7ALDH1A1KDM4EHSD17B10LMNA | |
| SCHEMBL10862456 | 0.79 | P2RX7 (0.45) | P2RX7SMN1; SMN2LMNASRCKDM5A | |
| SCHEMBL14499487 | 0.78 | P2RX7 (0.44) | P2RX7HSD17B10KDM5AKDM4CKDM5B | |
| SCHEMBL14223664 | 0.78 | MCL1 (0.40) | ALDH1A1 | |
| SCHEMBL5545008 | 0.75 | SRC (0.59) | P2RX7ALDH1A1KDM4ESMN1; SMN2SRC | |
| SCHEMBL15777939 | 0.74 | P2RX7 (0.42) | P2RX7ALDH1A1HSD17B10SMN1; SMN2LMNA |
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-7226951-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2007-06-05 | — | — | US | disclosed |