Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.53 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5874810 | 0.80 | NPC1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8992905 | 0.76 | KMT2A (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5875070 | 0.75 | NPC1 (0.44) | ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL4155308 | 0.75 | HSP90AA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8993267 | 0.74 | ALDH1A1 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL4159603 | 0.73 | HSP90AA1 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5875331 | 0.71 | SERPINE1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28988328 | 0.71 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9A | |
| SCHEMBL25262379 | 0.71 | TDP1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10721944 | 0.71 | TDP1 (0.56) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526486-B1 | NON-LINEAR OPTICAL DEVICE | SECR DEFENCE BRIT (GB) | 1996-07-31 | — | — | EP | disclosed |
| US-5352388-A | Crystalline second harmonic generator material comprising salt of organic nitrogenous base and optically active enantiomer of chiral carboxylic acid mounted in optical path of laser | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1994-10-04 | — | — | US | disclosed |