Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.89 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Resorcinol SCHEMBL17028901 | 0.96 | CYP3A4 (0.82) | CYP3A4LMNAACHEESR1ESR2 | |
| Resorcinol Monoacetate SCHEMBL17028544 | 0.96 | CYP3A4 (0.96) | CYP3A4LMNAACHEESR1ESR2 | |
| Resorcinol Monoacetate SCHEMBL27801 | 0.94 | CYP3A4 (1.00) | CYP3A4LMNAACHEESR1ESR2 | |
| Resorcinol Monoacetate SCHEMBL31276188 | 0.94 | CYP3A4 (1.00) | CYP3A4LMNAACHEESR1ESR2 | |
| SCHEMBL17028900 | 0.89 | LMNA (0.76) | CYP3A4LMNAACHEMEN1KMT2A | |
| SCHEMBL249305 | 0.89 | LMNA (0.76) | CYP3A4LMNAACHEMEN1KMT2A | |
| SCHEMBL27999564 | 0.87 | CYP3A4 (0.79) | CYP3A4LMNAACHEESR1ESR2 | |
| Ethylene SCHEMBL28866733 | 0.85 | LMNA (0.70) | CYP3A4LMNAACHEMEN1KMT2A | |
| SCHEMBL13930374 | 0.83 | LMNA (0.68) | CYP3A4LMNAACHEMEN1KMT2A | |
| 3-Hydroxybenzaldehyde SCHEMBL9616762 | 0.83 | CYP3A4 (0.72) | CYP3A4LMNAACHEMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107523-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M Innovative Properties Company (US) | 2016-12-28 | — | — | EP | disclosed |
| EP-3107521-A1 | ADHESIVE BONDING COMPOSITION AND USE THEREOF | 3M Innovative Properties Company (US) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015126865-A1 | ADHESIVE BONDING COMPOSITION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |
| WO-2015126862-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |