Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2540847 | 0.89 | ALDH1A1 (0.35) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27656405 | 0.81 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL2544210 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL28109516 | 0.80 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL27614569 | 0.76 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL2541640 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL2542967 | 0.76 | CHRM2 (0.44) | ALDH1A1TSHRHPGD | |
| SCHEMBL27373830 | 0.76 | — | — | |
| SCHEMBL19248471 | 0.76 | CA2 (0.38) | SMN1; SMN2 | |
| SCHEMBL9204921 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106456602-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2017-02-22 | — | — | CN | disclosed |