Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5470221 | 0.90 | ALDH1A1 (0.42) | ALDH1A1TSHRNFKB1PMP22CA2 | |
| SCHEMBL375911 | 0.79 | — | — | |
| SCHEMBL27760482 | 0.77 | NQO1 (0.41) | ALDH1A1TSHRNFKB1LMNAPMP22 | |
| SCHEMBL15579489 | 0.75 | — | — | |
| SCHEMBL21785 | 0.75 | — | — | |
| SCHEMBL24690000 | 0.75 | — | — | |
| SCHEMBL18410285 | 0.75 | ALDH1A1 (0.33) | ALDH1A1TSHRCA2CA9CHRNB2 | |
| SCHEMBL3267958 | 0.73 | LMNA (0.37) | ALDH1A1LMNACA2CA9MAOA | |
| SCHEMBL3721204 | 0.73 | CRBN (0.42) | ALDH1A1TSHRNFKB1LMNAPMP22 | |
| SCHEMBL6987286 | 0.72 | ALDH1A1 (0.44) | ALDH1A1TSHRNFKB1PMP22THPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | claimed |