Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL878890 | 0.81 | CYP2C19 (0.44) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL8972692 | 0.80 | CHAT (0.42) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL8972699 | 0.80 | CHAT (0.42) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL878823 | 0.75 | MAOB (0.33) | ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL878822 | 0.74 | — | — | |
| SCHEMBL4195177 | 0.73 | CYP2A6 (0.58) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL806367 | 0.73 | CYP2A6 (0.58) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL4195180 | 0.73 | CYP2A6 (0.58) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL9004502 | 0.73 | CYP2A6 (0.58) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL9004500 | 0.73 | CYP2A6 (0.58) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 |
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-8143465-B2 | Soluble branched triaroylbenzene-based polymer and its synthetic method | THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) | 2012-03-27 | — | — | US | disclosed |