Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19953589 | 0.99 | TSHR (0.41) | ALDH1A1TDP1KMT2ATSHRNPSR1 | |
| SCHEMBL8259309 | 0.86 | CA1 (0.43) | KMT2ATSHRNPSR1KDM1ACA1 | |
| Hydrochloric Acid SCHEMBL8298614 | 0.85 | CA1 (0.43) | KMT2ATSHRNPSR1KDM1ACA1 | |
| Bromide SCHEMBL30920113 | 0.85 | CA1 (0.43) | KMT2ATSHRNPSR1KDM1ACA1 | |
| Bromide SCHEMBL28658741 | 0.85 | CA1 (0.43) | KMT2ATSHRNPSR1KDM1ACA1 | |
| SCHEMBL10516146 | 0.84 | KMT2A (0.48) | ALDH1A1KMT2AKDM1AOPRM1MAPKAPK2 | |
| SCHEMBL23119015 | 0.81 | TSHR (0.60) | TSHRNPSR1OPRM1SLC18A2 | |
| SCHEMBL4853532 | 0.81 | TSHR (0.60) | TSHRNPSR1OPRM1SLC18A2 | |
| SCHEMBL22468657 | 0.81 | KMT2A (0.37) | ALDH1A1TDP1KMT2ATSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL19953531 | 0.80 | TSHR (0.62) | TSHRNPSR1OPRM1SLC18A2GAA |
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-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |