Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL87346 | 0.81 | CTSL (0.47) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL87252 | 0.79 | CTSS (0.43) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL62133 | 0.78 | CTSS (0.49) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL29845981 | 0.77 | CTSS (0.58) | TSHRALDH1A1GAACTSLCTSB | |
| Hydrochloric Acid SCHEMBL5601416 | 0.76 | CTSS (0.57) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL26097271 | 0.74 | CTSS (0.47) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL28141039 | 0.74 | ALDH1A1 (0.49) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL13733943 | 0.74 | EPHX2 (0.50) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL12054389 | 0.73 | ALDH1A1 (0.51) | TSHRALDH1A1GAACTSLCTSB | |
| SCHEMBL381668 | 0.73 | CTSL (0.50) | ALDH1A1GAACTSLCTSBCTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |