Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL13824516 | 0.87 | NR4A2 (0.67) | NR4A2LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL5761906 | 0.81 | CYP19A1 (0.51) | NR4A2LMNAALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL28264481 | 0.81 | NR4A2 (0.76) | NR4A2LMNAALDH1A1SMN1; SMN2CNR2 | |
| SCHEMBL28265649 | 0.80 | TUBB4A (0.52) | NR4A2LMNAALDH1A1KMT2A | |
| SCHEMBL28264524 | 0.77 | TDP1 (0.36) | NR4A2CYP19A1KMT2ABRD4 | |
| SCHEMBL4395116 | 0.74 | HTR2C (0.49) | NR4A2LMNA | |
| SCHEMBL28264498 | 0.74 | PDE4B (0.39) | NR4A2LMNAALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL2593643 | 0.73 | NR4A2 (0.53) | NR4A2LMNASMN1; SMN2GAACNR1 | |
| SCHEMBL15999018 | 0.72 | NR4A2 (0.52) | NR4A2LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL1586664 | 0.72 | NR4A2 (0.52) | NR4A2LMNASMN1; SMN2CNR2GAA |
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-109153643-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2019-01-04 | — | — | CN | disclosed |