Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446438 | 1.00 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL6710932 | 0.96 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL6710934 | 0.96 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL6709446 | 0.75 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL6443600 | 0.75 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL27488208 | 0.75 | SLC6A3 (0.45) | ALDH1A1SLC6A3SLC6A2SLC6A4DHFR | |
| Hydrochloric Acid SCHEMBL7423286 | 0.73 | SLC6A3 (0.44) | ALDH1A1SLC6A3SLC6A2SLC6A4LMNA | |
| SCHEMBL9830051 | 0.73 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL9830054 | 0.73 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL27861451 | 0.71 | SLC6A3 (0.40) | ALDH1A1SLC6A3SLC6A2SLC6A4DHFR |
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 |
|---|---|---|---|---|---|---|---|
| US-5753652-A | Antiretroviral hydrazine derivatives | NOVARTIS CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |