Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9406017 | 0.94 | PTGS2 (0.50) | ESR1ESR2TYRDEGS1ADRA2A | |
| SCHEMBL19309207 | 0.92 | PTGS2 (0.53) | ESR1ESR2TYRDEGS1ADRA2A | |
| SCHEMBL8193278 | 0.88 | ESR1 (0.50) | ESR1ESR2DEGS1ADRA2AADORA3 | |
| SCHEMBL20133367 | 0.82 | ESR1 (0.44) | ESR1ESR2DEGS1ALDH1A1LMNA | |
| SCHEMBL20436993 | 0.80 | ESR1 (0.43) | ESR1ESR2DEGS1TBXAS1MAPT | |
| SCHEMBL15632944 | 0.79 | ESR1 (0.51) | ESR1ESR2TYRDEGS1 | |
| SCHEMBL8168071 | 0.79 | MAPT (0.56) | ESR1TYRADRA2AADORA3TACR2 | |
| SCHEMBL7872685 | 0.79 | MAPT (0.56) | ESR1TYRADRA2AADORA3TACR2 | |
| SCHEMBL9129200 | 0.79 | NPC1 (0.56) | ESR1ESR2ADRA2AADORA3TACR2 | |
| SCHEMBL807517 | 0.79 | — | — |
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-2004012656-A2 | THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2004-02-12 | — | — | WO | disclosed |
| CN-1037334-A | Pyridine derivate | MERCK PATENT GMBH (DE) | 1989-11-22 | — | — | CN | disclosed |