Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | ELANE | P08246 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL176369 | 0.87 | CA12 (0.71) | CA1CA2CA12CA9CA14 | |
| SCHEMBL22767089 | 0.84 | CA1 (0.58) | CA1CA2ELANEESR2NPC1 | |
| SCHEMBL11746611 | 0.84 | CA12 (0.59) | CA1CA2CA12CA9CA14 | |
| SCHEMBL2909577 | 0.82 | CA12 (0.61) | CA1CA2CA12CA9CA14 | |
| Terephthalic Acid SCHEMBL28552075 | 0.82 | CA1 (0.65) | CA1CA2CA12CA9CA14 | |
| SCHEMBL23987211 | 0.81 | CA1 (0.55) | CA1CA2ELANEESR2NPC1 | |
| SCHEMBL28550850 | 0.81 | NPC1 (0.44) | CA1CA2ELANENPC1RAB9A | |
| SCHEMBL2832918 | 0.80 | CA1 (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL7872582 | 0.80 | CA12 (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL11307706 | 0.80 | CA1 (0.53) | CA1CA2ELANEESR2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751087-B1 | LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2012-06-27 | — | — | EP | claimed |
| CN-116836104-A | Blue light induced method for hydrogen trifluoromethyl of alkynyl compound | 湖南大学 | 2023-10-03 | — | — | CN | disclosed |
| US-20140099349-A1 | WOOD PROTECTION AGENT HAVING IMPROVED PENETRATION AND LONG-TERM STABILITY | KURT OBEMEIER GMBH & CO. KG (DE) | 2014-04-10 | — | — | US | disclosed |