Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.56 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.56 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | THPO | P40225 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL18551584 | 1.00 | ESR1 (0.56) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL9912163 | 1.00 | ESR1 (0.56) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL5955203 | 0.80 | ESR1 (0.56) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL2669165 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2C9KDM4EHIF1ASMN1; SMN2 | |
| SCHEMBL14281851 | 0.78 | ESR1 (0.54) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL8284259 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1KDM4EHTR1ASMN1; SMN2 | |
| SCHEMBL8285887 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1KDM4EHTR1ASMN1; SMN2 | |
| SCHEMBL178538 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1KDM4EHTR1ASMN1; SMN2 | |
| SCHEMBL8285882 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP2C9THPOCYP3A4ALOX15 | |
| SCHEMBL8284221 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017030814-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS | Arvinas, Inc. (US) | 2017-02-23 | — | — | WO | disclosed |
| WO-2011103686-A1 | CEPHALOSPORIN DERIVATIVES USEFUL AS β-LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | VISWANATHA , SUNDARAMMA (CA) | 2011-09-01 | — | — | WO | disclosed |