Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL10357878 | 0.79 | OPRM1 (0.36) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL598978 | 0.76 | TAAR1 (0.64) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL25334 | 0.76 | ALDH1A1 (0.40) | CYP1A2CYP2D6MAPTCYP2C9ALOX15 | |
| SCHEMBL23188100 | 0.74 | ESR1 (0.48) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL816075 | 0.73 | ADRA2A (0.42) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL6578290 | 0.73 | CYP17A1 (0.36) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL17084078 | 0.73 | ESR1 (0.46) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL12157071 | 0.73 | ADRB2 (0.48) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL2446248 | 0.73 | — | — | |
| SCHEMBL7732261 | 0.73 | ESR1 (0.46) | ESR1LMNACYP1A2PGRCHRM2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110835332-A | Aromatic heterocyclic substituted indazole derivative, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2020-02-25 | — | — | CN | disclosed |
| EP-0888262-B1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AG (DE) | 2004-06-02 | — | — | EP | disclosed |
| CN-1140485-C | Cycloalkyl derivatives and solid-phase synthesis thereof | BASF | 2004-03-03 | — | — | CN | disclosed |
| CN-1131233-C | Carbohydrate derivatives and their solid-phase synthesis | BASF AG (DE) | 2003-12-17 | — | — | CN | disclosed |
| US-6521780-B1 | Cycloalkylmalonic ester derivatives as potential active substances in the drugs and crop protection; combinatorial chemistry | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-18 | — | — | US | disclosed |
| EP-0906324-B1 | CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS | BASF AG (DE) | 2001-08-01 | — | — | EP | disclosed |
| US-6242583-B1 | COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-05 | — | — | US | disclosed |
| CN-1219937-A | Carbohydrate derivatives and their solid-phase synthesis | BASF AG (DE) | 1999-06-16 | — | — | CN | disclosed |
| CN-1218448-A | Cycloalkyl derivatives and solid-phase synthesis thereof | BASF AG (DE) | 1999-06-02 | — | — | CN | disclosed |
| EP-0888262-A1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034852-A1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-25 | — | — | WO | disclosed |