Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 7/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27916220 | 0.79 | CTSA (0.36) | ALDH1A1CTSAHTTLMNATSHR | |
| SCHEMBL2398682 | 0.76 | CTSA (0.40) | ALDH1A1CTSANPC1RAB9AADAM17 | |
| SCHEMBL909602 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CTSAHTTLMNATSHR | |
| SCHEMBL21552487 | 0.75 | CTSA (0.47) | CTSA | |
| SCHEMBL21552311 | 0.73 | NR3C1 (0.41) | ALDH1A1CTSAHTTNR3C1 | |
| SCHEMBL10824243 | 0.73 | CTSA (0.38) | ALDH1A1CTSAHTTLMNATSHR | |
| SCHEMBL21553864 | 0.72 | CTSA (0.39) | CTSA | |
| SCHEMBL29278491 | 0.72 | CTSA (0.40) | ALDH1A1CTSANPC1RAB9AADAM17 | |
| SCHEMBL1582982 | 0.72 | GRIK1 (0.40) | ALDH1A1CTSALMNATSHRNPC1 | |
| SCHEMBL11083464 | 0.72 | GRIK1 (0.40) | ALDH1A1CTSALMNATSHRNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102083427-A | Inhibitors of carbonic anhydrase IX | MOLECULAR INSIGHT PHARM INC | 2011-06-01 | — | — | CN | claimed |
| CN-101594886-A | Radiographical moieties coupled to peptidase-binding moieties for imaging tissues and organs expressing peptidases | MOLECULAR INSIGHT PHARM INC (US) | 2009-12-02 | — | — | CN | claimed |
| CN-102083427-B | Inhibitors of carbonic anhydrase IX | MOLECULAR INSIGHT PHARM INC | 2014-12-10 | — | — | CN | disclosed |
| CN-102083427-A | Inhibitors of carbonic anhydrase IX | MOLECULAR INSIGHT PHARM INC | 2011-06-01 | — | — | CN | disclosed |