Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | PCTP | Q9UKL6 | 2/20 | 0.44 |
| ▸ | STARD10 | Q9Y365 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19346201 | 0.93 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2THRBPCTP | |
| SCHEMBL19345878 | 0.92 | ALDH1A1 (0.49) | ALDH1A1TSHRSMN1; SMN2THRBPCTP | |
| SCHEMBL19345877 | 0.90 | THRB (0.40) | ALDH1A1TSHRSMN1; SMN2THRBTP53 | |
| SCHEMBL19332597 | 0.84 | MAPT (0.54) | ALDH1A1SMN1; SMN2THRBTP53NPSR1 | |
| SCHEMBL19345996 | 0.79 | GPR27 (0.41) | ALDH1A1THRBTP53 | |
| SCHEMBL19345885 | 0.79 | SCN3A (0.50) | ALDH1A1SMN1; SMN2THRBNPSR1 | |
| SCHEMBL19345881 | 0.78 | RXFP1 (0.45) | THRBTP53 | |
| SCHEMBL19345868 | 0.78 | IKBKB (0.44) | ALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL19332500 | 0.78 | ALPL (0.44) | ALDH1A1TSHRTHRB | |
| SCHEMBL19346199 | 0.78 | PPIA (0.57) | ALDH1A1SMN1; SMN2 |
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-2017156181-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |