Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19622181 | 0.81 | AR (0.42) | ARSMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL19622184 | 0.79 | KMT2A (0.54) | SMN1; SMN2ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL22681671 | 0.74 | NPC1 (0.51) | ARSMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL7176453 | 0.73 | DPP4 (0.53) | ARSMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL14397395 | 0.72 | HTR2A (0.58) | AR | |
| SCHEMBL27784339 | 0.69 | CYP2A6 (0.46) | ARSMN1; SMN2NPC1RAB9AABL1 | |
| SCHEMBL14396816 | 0.68 | SLC6A4 (0.55) | AR | |
| SCHEMBL14396806 | 0.68 | AR (0.54) | ARMAPTTDP1LMNA | |
| SCHEMBL9321769 | 0.68 | HTR2A (0.53) | SMN1; SMN2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL11094738 | 0.68 | MAOB (0.53) | SMN1; SMN2GAAKMT2A |
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 |