Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19090335 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EALOX15MAPTHRH3 | |
| SCHEMBL19090403 | 0.78 | KMT2A (0.47) | ALDH1A1KDM4EALOX15MAPTHRH3 | |
| SCHEMBL19090465 | 0.73 | MEN1 (0.39) | ALDH1A1KDM4EMAPTMEN1RAB9A | |
| SCHEMBL21389517 | 0.72 | KMT2A (0.47) | ALDH1A1KDM4EALOX15MAPTHRH3 | |
| SCHEMBL19090462 | 0.72 | P2RX3 (0.35) | ALDH1A1KDM4EMAPTMEN1RAB9A | |
| SCHEMBL19090407 | 0.71 | P2RX3 (0.36) | ALDH1A1KDM4EMAPTALOX5APMEN1 | |
| SCHEMBL19090561 | 0.68 | HRH3 (0.46) | ALDH1A1KDM4EALOX15MAPTHRH3 | |
| SCHEMBL19090394 | 0.68 | P2RX3 (0.34) | MEN1KMT2AP2RX3 | |
| SCHEMBL19090464 | 0.67 | P2RX3 (0.36) | ALDH1A1KDM4EMAPTMEN1RAB9A | |
| SCHEMBL19090593 | 0.67 | BRD4 (0.34) | — |
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-2017114843-A1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-06 | — | — | WO | disclosed |