Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29776946 | 0.86 | CA12 (0.70) | HTTCA12CA1CA2CA9 | |
| SCHEMBL27485897 | 0.84 | ALDH1A1 (0.58) | HTTADORA3KDM4EHSD17B10RAB9A | |
| SCHEMBL8946928 | 0.84 | TAAR1 (0.60) | HTTEGFRPTGS2CA12CA1 | |
| SCHEMBL12334984 | 0.83 | NAMPT (0.76) | HTTMEN1KMT2ASMN1; SMN2HDAC1 | |
| SCHEMBL10552692 | 0.81 | KDM4E (0.62) | EGFRPTGS2AHRKDM4EHSD17B10 | |
| SCHEMBL1492902 | 0.81 | PORCN (0.62) | HTTCNR1KMT2AMAPTKDR | |
| SCHEMBL10665495 | 0.81 | RAB9A (0.79) | HTTAHRKDM4ETAAR1RAB9A | |
| SCHEMBL29450607 | 0.81 | NAMPT (0.62) | HTTKDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL29450631 | 0.80 | HCRTR2 (0.49) | HTTADORA3AHRKDM4EHSD17B10 | |
| SCHEMBL29666526 | 0.80 | ADRA2C (0.55) | EGFRKDM4ERAB9ANPC1PKM |
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-2022030589-A1 | LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME | 国立大学法人北海道大学 | 2022-02-10 | — | — | WO | disclosed |