Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19622320 | 0.81 | AR (0.42) | ARSMN1; SMN2MAPTALDH1A1RAB9A | |
| SCHEMBL19622184 | 0.79 | KMT2A (0.54) | SMN1; SMN2MAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL14748411 | 0.75 | AR (0.39) | ARMAPTALDH1A1GAALMNA | |
| SCHEMBL29833731 | 0.74 | GAA (0.55) | ARMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL11993056 | 0.74 | PDE4B (0.70) | PDE4APDE4BPDE4CPDE4DCA1 | |
| SCHEMBL29024081 | 0.73 | CA2 (0.54) | ARSMN1; SMN2MAPTALDH1A1RAB9A | |
| SCHEMBL8969033 | 0.72 | AR (0.49) | ARSMN1; SMN2MAPTALDH1A1KDM4E | |
| SCHEMBL9344917 | 0.71 | TSHR (0.52) | ARSMN1; SMN2MAPTALDH1A1RAB9A | |
| SCHEMBL29930880 | 0.71 | GAA (0.61) | ARMAPTRAB9ANPC1GAA | |
| SCHEMBL11302589 | 0.71 | GAA (0.61) | ARMAPTRAB9ANPC1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |