Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL104748 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL8010098 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL14019404 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL21810992 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL4051277 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL8009779 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL19334562 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL2861457 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL5361875 | 0.77 | CYP1A2 (0.75) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL23429041 | 0.77 | LTA4H (0.57) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015159153-A1 | NOVEL BISPHOSPHONATES AND THEIR USE | WROCŁAWSKIE CENTRUM BADAŃ EIT+ SP. Z O.O. (PL) | 2015-10-22 | — | — | WO | disclosed |