Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 9/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912616 | 0.92 | ALDH1A1 (0.37) | ADRA1BMEN1ALDH1A1KMT2ABRAF | |
| SCHEMBL9363911 | 0.70 | IDH2 (0.41) | KMT2ABRAFCA1CA2 | |
| SCHEMBL8772047 | 0.70 | ICMT (0.32) | ALDH1A1CA2 | |
| SCHEMBL8772012 | 0.64 | AR (0.40) | MEN1ALDH1A1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL9500616 | 0.64 | PSIP1 (0.46) | MEN1ALDH1A1KMT2A | |
| SCHEMBL9364278 | 0.62 | IDH2 (0.39) | MEN1ALDH1A1KMT2ACA1CA2 | |
| SCHEMBL3019842 | 0.62 | BRAF (0.55) | BRAFCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12984831 | 0.60 | CES2 (0.40) | CA2 | |
| SCHEMBL913405 | 0.60 | BRAF (0.56) | BRAFCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8772056 | 0.59 | P2RX7 (0.45) | CYP3A4 |
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-5686492-A | NMR DIAGNOSTIC AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-11 | — | — | US | disclosed |