Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL137429 | 0.85 | HDAC8 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL137428 | 0.85 | HDAC8 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9861852 | 0.76 | ALDH1A1 (0.57) | HDAC8MEN1MAPTRAB9AKMT2A | |
| SCHEMBL9861869 | 0.76 | ALDH1A1 (0.57) | HDAC8MEN1MAPTRAB9AKMT2A | |
| SCHEMBL14123783 | 0.74 | NPC1 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL142294 | 0.73 | HDAC8 (0.62) | CA12CA1CA2CA9CA14 | |
| SCHEMBL142295 | 0.73 | HDAC8 (0.62) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28871 | 0.72 | HDAC8 (0.59) | CA12CA1CA2CA9CA14 | |
| SCHEMBL976617 | 0.70 | HDAC8 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11361558 | 0.70 | CA12 (0.43) | CA12CA1CA2CA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851203-B2 | Functionalized apertures for the detection of chemical and biological materials | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) | 2010-12-14 | — | — | US | disclosed |
| US-20050074778-A1 | Functionalized apertures for the detection of chemical and biological materials | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2005-04-07 | — | — | US | disclosed |