Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 9/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL19090596 | 0.93 | KMT2A (0.34) | P2RX3KDM4EALDH1A1THRBHPGD | |
| SCHEMBL19090465 | 0.75 | MEN1 (0.39) | P2RX3KDM4EALDH1A1KMT2AGAA | |
| SCHEMBL19090462 | 0.74 | P2RX3 (0.35) | P2RX3KDM4EALDH1A1KMT2AGAA | |
| SCHEMBL19090316 | 0.73 | KDM4E (0.34) | P2RX3KDM4EALDH1A1THRBHPGD | |
| SCHEMBL19090327 | 0.73 | KMT2A (0.51) | P2RX3KDM4EALDH1A1THRBHPGD | |
| SCHEMBL21389560 | 0.71 | MEN1 (0.51) | ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL19090209 | 0.71 | APOBEC3G (0.47) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL19090394 | 0.71 | P2RX3 (0.34) | P2RX3KMT2APOLBMEN1 | |
| SCHEMBL19090593 | 0.69 | BRD4 (0.34) | — | |
| SCHEMBL19090318 | 0.69 | ELANE (0.41) | KDM4EALDH1A1THRBHPGDKMT2A |
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 |