Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL113313 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL19296595 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL26689720 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL15451589 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL16477727 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL11649682 | 0.91 | TSHR (0.44) | TSHRMEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL11653484 | 0.88 | CCR8 (0.47) | TSHRMEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL14967077 | 0.88 | LMNA (0.45) | TSHRMEN1KMT2AGAAALDH1A1 | |
| SCHEMBL3507914 | 0.88 | LMNA (0.42) | TSHRMEN1KMT2ACYP1A2CYP2C19 | |
| Ethyl Tetradecanoate SCHEMBL29980662 | 0.87 | CYP4F2 (0.42) | TSHRGAAALDH1A1 |
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-2621462-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | The Procter and Gamble Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044728-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | THE PROCTER & GAMBLE COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |