Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14748454 | 0.88 | MAOB (0.53) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5801556 | 0.85 | PDE4A (0.49) | TSHRMAOAMAOBLTA4HPDE4A | |
| SCHEMBL8007552 | 0.83 | PDE4A (0.50) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8007094 | 0.83 | PDE4A (0.50) | MAOAMAOBLTA4HPDE4APDE4B | |
| SCHEMBL14748434 | 0.83 | PDE4A (0.50) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8010793 | 0.83 | ST14 (0.51) | MAOB | |
| SCHEMBL14470676 | 0.80 | PDE4B (0.53) | ALDH1A1MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL7995366 | 0.80 | PDE4B (0.53) | MAOAMAOBRAB9ALTA4HPDE4A | |
| SCHEMBL14748411 | 0.77 | AR (0.39) | ALDH1A1MAPTGAATSHRMAPK1 | |
| SCHEMBL14748363 | 0.75 | MAOA (0.56) | MAPTSMN1; SMN2MEN1KMT2ATDP1 |
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 |