Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835772 | 0.84 | KMT2A (0.64) | ESR1KMT2ASMN1; SMN2HIF1ARECQL | |
| Urethane SCHEMBL2937616 | 0.77 | ELANE (0.43) | KMT2AELANECYP1A2CYP3A4MEN1 | |
| SCHEMBL72362 | 0.77 | ELANE (0.61) | ESR1KMT2AELANEESR2MEN1 | |
| SCHEMBL1888095 | 0.76 | ELANE (0.58) | ESR1KMT2ARECQLELANEESR2 | |
| SCHEMBL16265303 | 0.76 | KMT2A (0.53) | ESR1KMT2ASMN1; SMN2HIF1ARECQL | |
| SCHEMBL19985115 | 0.75 | ELANE (0.76) | ESR1KMT2ASMN1; SMN2ELANEESR2 | |
| Hydroquinone SCHEMBL28395727 | 0.74 | ELANE (0.64) | KMT2ASMN1; SMN2ELANETP53MAPT | |
| Diethylstilbestrol SCHEMBL28277498 | 0.73 | ESR1 (0.75) | ESR1KMT2ASMN1; SMN2HIF1ARECQL | |
| SCHEMBL8835840 | 0.73 | ELANE (0.58) | ESR1KMT2ASMN1; SMN2HIF1ARECQL | |
| SCHEMBL14048482 | 0.72 | ELANE (0.61) | ESR1KMT2ASMN1; SMN2HIF1ARECQL |
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 2 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 |
| WO-2015126862-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |