Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CCR9 | P51686 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL81866 | 0.85 | TP53 (1.00) | TSHRTP53ACACBCOPS5EPHX1 | |
| SCHEMBL13453994 | 0.85 | TP53 (1.00) | TSHRTP53ACACBCOPS5EPHX1 | |
| SCHEMBL16880397 | 0.85 | TP53 (1.00) | TSHRTP53ACACBCOPS5EPHX1 | |
| SCHEMBL21176929 | 0.84 | TP53 (0.72) | TSHRTP53ACACBCOPS5ESR1 | |
| SCHEMBL21986514 | 0.82 | TSHR (0.64) | TSHRTP53ESR1ESR2ELANE | |
| Benzene SCHEMBL28938992 | 0.82 | TP53 (0.93) | TSHRTP53ACACBCOPS5EPHX1 | |
| SCHEMBL4447719 | 0.82 | TP53 (0.74) | TSHRTP53ACACBCOPS5ESR1 | |
| SCHEMBL4428387 | 0.81 | TP53 (0.90) | TSHRTP53ACACBCOPS5EPHX1 | |
| SCHEMBL11553698 | 0.81 | TP53 (0.72) | TSHRTP53ACACBCOPS5ESR1 | |
| SCHEMBL25252393 | 0.80 | TP53 (0.71) | TSHRTP53TAAR1HTR2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0447947-A1 | N-(3-Phenyl-2-methylpropyl and -methyl-prop-2-enyl)-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | disclosed |