Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | YWHAG | P61981 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15592288 | 0.84 | AKR1B1 (0.59) | TAAR1TSHRMAPK1TP53TDP1 | |
| SCHEMBL29720481 | 0.83 | ESR1 (0.74) | ESR1ESR2TSHRMAPK1TP53 | |
| SCHEMBL1924746 | 0.83 | ESR1 (0.74) | ESR1ESR2TSHRMAPK1TP53 | |
| SCHEMBL13372175 | 0.80 | ESR1 (0.53) | ESR1ESR2TP53TDP1AKR1B1 | |
| SCHEMBL3015906 | 0.80 | ESR1 (0.63) | ESR1ESR2TAAR1TSHRMAPK1 | |
| SCHEMBL529618 | 0.79 | ESR1 (0.68) | ESR1ESR2MAPK1TP53TDP1 | |
| SCHEMBL68664 | 0.79 | ESR1 (0.68) | ESR1ESR2MAPK1TP53TDP1 | |
| SCHEMBL12204003 | 0.79 | TAAR1 (0.71) | TAAR1TSHRMAPK1TDP1AKR1B1 | |
| SCHEMBL11509729 | 0.79 | CA2 (0.57) | TAAR1TSHRMAPK1AKR1B1LMNA | |
| SCHEMBL10499361 | 0.79 | TAAR1 (0.43) | ESR1TAAR1TSHRMAPK1AKR1B1 |
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-3481383-B1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME | CELLIX BIO PRIVATE LTD (IN) | 2023-06-14 | — | — | EP | disclosed |
| US-5602285-A | ETHERIFICATION OF PHENETHYL ALCOHOL WITH PRIMARY ALIPHATIC ALCOHOL IN PRESENCE OF ACID CATALYST | HOECHST CELANESE CORP. (US) | 1997-02-11 | — | — | US | disclosed |