Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9459003 | 0.94 | ALDH1A1 (0.49) | ESR1TSHRLMNASTSALDH1A1 | |
| SCHEMBL20443736 | 0.85 | TSHR (0.54) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL30876052 | 0.85 | TSHR (0.54) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9458486 | 0.85 | CA12 (0.46) | ESR1LMNACYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL9734259 | 0.84 | ESR1 (0.69) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9734263 | 0.84 | ESR1 (0.69) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL709064 | 0.83 | ESR1 (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9448785 | 0.81 | ESR1 (0.64) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL20437093 | 0.81 | TSHR (0.49) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9448928 | 0.80 | HSD17B10 (0.48) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5230828-A | NAPHTHALENEDICARBOXYLIC ACID ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |