Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.69 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3665344 | 0.91 | ESR1 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL29389181 | 0.86 | TSHR (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL240687 | 0.86 | TSHR (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL29091830 | 0.86 | TSHR (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL14841131 | 0.84 | CA12 (0.57) | ESR1TSHRLMNACYP1A2MAPK1 | |
| SCHEMBL27883417 | 0.84 | ESR1 (0.68) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27603946 | 0.83 | ESR1 (0.71) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL28622446 | 0.82 | TSHR (0.61) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL29449313 | 0.82 | TSHR (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL28635438 | 0.82 | TSHR (0.61) | ESR1TSHRLMNACYP1A2CYP2C19 |
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-2142556-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | Ludwig-Maximilians-Universität München (DE) | 2010-01-13 | — | — | EP | disclosed |
| EP-1981893-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | Ludwig-Maximilians-Universität München (DE) | 2008-10-22 | — | — | EP | disclosed |
| WO-2008087057-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) | 2008-07-24 | — | — | WO | disclosed |
| WO-2007082911-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) | 2007-07-26 | — | — | WO | disclosed |