Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | BLM | P54132 | 3/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | GSR | P00390 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9856556 | 0.86 | ALDH1A1 (0.70) | ALDH1A1BLMPMP22TSHRMEN1 | |
| Ditiomustine SCHEMBL607073 | 0.85 | ALDH1A1 (0.74) | ALDH1A1BLMPMP22TSHRMEN1 | |
| Carmustine SCHEMBL4503 | 0.81 | ALDH1A1 (1.00) | ALDH1A1BLMPMP22TSHRMEN1 | |
| Carmustine SCHEMBL2047318 | 0.81 | ALDH1A1 (1.00) | ALDH1A1BLMPMP22TSHRMEN1 | |
| SCHEMBL10005923 | 0.80 | ALDH1A1 (0.77) | ALDH1A1BLMPMP22TSHRMEN1 | |
| SCHEMBL9856739 | 0.80 | BLM (0.76) | ALDH1A1BLMPMP22TSHRMEN1 | |
| Elmustine SCHEMBL93476 | 0.80 | ALDH1A1 (0.82) | ALDH1A1BLMPMP22TSHRMEN1 | |
| SCHEMBL1358872 | 0.79 | BLM (0.64) | ALDH1A1BLMPMP22TSHRMEN1 | |
| SCHEMBL11148427 | 0.78 | ALDH1A1 (0.72) | ALDH1A1BLMPMP22TSHRMEN1 | |
| Carmustine SCHEMBL5783727 | 0.77 | ALDH1A1 (0.89) | ALDH1A1BLMPMP22TSHRMEN1 |
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-5001158-A | Nitrosoureas compounds preparation thereof and utilization thereof in anticancerous | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1991-03-19 | — | — | US | disclosed |