Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | LIPA | P38571 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2301499 | 0.78 | HMGCR (0.50) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL1986762 | 0.77 | — | — | |
| SCHEMBL15113111 | 0.77 | — | — | |
| SCHEMBL11289793 | 0.77 | — | — | |
| SCHEMBL12707470 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL24410838 | 0.76 | TSHR (0.38) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL15269810 | 0.76 | KDM4E (0.31) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL14448847 | 0.76 | HMGCR (0.36) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL19014324 | 0.74 | TDP1 (0.43) | ALDH1A1TDP1 | |
| SCHEMBL123396 | 0.73 | — | — |
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-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |