Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101198 | 0.98 | ESR1 (0.46) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL4918290 | 0.98 | ESR1 (0.46) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL9405363 | 0.83 | TSHR (0.50) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL5810167 | 0.83 | ESR1 (0.54) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL3962146 | 0.83 | ESR1 (0.54) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL15657838 | 0.83 | ESR1 (0.42) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL258915 | 0.83 | ACHE (0.36) | ACHETSHRALDH1A1CA1CA2 | |
| SCHEMBL8165677 | 0.79 | TSHR (0.41) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL16424436 | 0.79 | CYP3A4 (0.50) | ESR1ESR2ACHETSHRCYP3A4 | |
| SCHEMBL49618 | 0.76 | CYP3A4 (0.52) | ESR1ESR2ACHETSHRCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010004278-A1 | METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES | CELTIC CATALYSTS LIMITED (IE) | 2010-01-14 | — | — | WO | claimed |
| WO-2012113889-A1 | PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2012-08-30 | — | — | WO | disclosed |
| WO-2010004278-A1 | METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES | CELTIC CATALYSTS LIMITED (IE) | 2010-01-14 | — | — | WO | disclosed |