Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15386170 | 0.81 | CYP1A2 (0.37) | ALDH1A1MAPTNPC1RAB9AAHR | |
| SCHEMBL17922970 | 0.81 | ALDH1A1 (0.35) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL22289233 | 0.73 | CA2 (0.34) | CA1CA2CA12CA4CA7 | |
| SCHEMBL28835136 | 0.71 | PIK3CD (0.53) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL27547737 | 0.69 | CYP1A2 (0.38) | ALDH1A1SMN1; SMN2HDAC8MEN1KMT2A | |
| SCHEMBL275534 | 0.69 | MAPT (0.39) | CA12CA9ALDH1A1MAPTKDM4E | |
| SCHEMBL1861283 | 0.69 | MAPT (0.39) | CA12CA9ALDH1A1MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL17274085 | 0.67 | MAPT (0.38) | ALDH1A1MAPTNPC1RAB9AKDM4E | |
| Ammonia Solution, Strong SCHEMBL28125485 | 0.67 | MAPT (0.38) | ALDH1A1MAPTNPC1KDM4ESMN1; SMN2 | |
| SCHEMBL6826771 | 0.66 | CA2 (0.40) | CA1CA2CA12CA4CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107074801-A | Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators | 里亚塔医药公司 | 2017-08-18 | — | — | CN | disclosed |
| EP-1268486-A2 | FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074823-A2 | FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |