Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28851379 | 0.87 | GAA (0.46) | CYP3A4CYP2C9HTTGAAMAPT | |
| SCHEMBL3806937 | 0.84 | SMN1; SMN2 (0.48) | RAB9ASMN1; SMN2LMNAHTTGAA | |
| SCHEMBL7023638 | 0.84 | KMT2A (0.46) | CYP3A4CYP2C9RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL14610740 | 0.84 | GAA (0.44) | CYP3A4CYP2C9SMN1; SMN2HTTGAA | |
| SCHEMBL3809851 | 0.84 | TP53 (0.45) | CYP3A4CYP2C9HTTGAAMAPT | |
| SCHEMBL30364150 | 0.81 | GAA (0.50) | RAB9ASMN1; SMN2NPC1LMNAHTT | |
| SCHEMBL2202098 | 0.81 | GAA (0.50) | RAB9ASMN1; SMN2NPC1LMNAHTT | |
| SCHEMBL4857301 | 0.80 | PDE4B (0.55) | SMN1; SMN2LMNAHTTGAAMAPT | |
| SCHEMBL28557215 | 0.80 | MAPT (0.46) | SMN1; SMN2LMNAHTTGAAMAPT | |
| SCHEMBL31691462 | 0.79 | HTT (0.60) | RAB9ASMN1; SMN2NPC1LMNAHTT |
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-104011027-A | Use of lonidamine analogs for fertility regulation | UNIV KANSAS | 2014-08-27 | — | — | CN | disclosed |