Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6683689 | 0.94 | ESR1 (0.41) | ESR1TSHRCYP19A1ADRA2AADRA2B | |
| SCHEMBL6679848 | 0.92 | MEN1 (0.40) | ESR1TSHRCYSLTR2CYSLTR1MEN1 | |
| SCHEMBL3083071 | 0.92 | MEN1 (0.40) | ESR1TSHRCYSLTR2CYSLTR1MEN1 | |
| SCHEMBL507787 | 0.92 | MEN1 (0.40) | ESR1TSHRCYSLTR2CYSLTR1MEN1 | |
| Hydrogen Peroxide SCHEMBL9456481 | 0.89 | CSNK1E (0.43) | TSHRCNR2CYSLTR2CYSLTR1MEN1 | |
| SCHEMBL11800593 | 0.88 | ESR1 (0.45) | ESR1TSHRCYP19A1ADRA2AADRA2B | |
| SCHEMBL6685019 | 0.87 | TSHR (0.45) | TSHRPOLBCNR2CYSLTR2CYSLTR1 | |
| SCHEMBL7176631 | 0.85 | ESR1 (0.50) | ESR1TSHRCYP19A1ADRA2AADRA2B | |
| SCHEMBL7592215 | 0.82 | ESR1 (0.41) | ESR1TSHRCYP19A1ADRA2AADRA2B | |
| SCHEMBL18007088 | 0.82 | ESR1 (0.41) | ESR1TSHRCYP19A1ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017173049-A1 | COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-10-05 | — | — | WO | disclosed |
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |