Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3389968 | 0.85 | ESR1 (0.42) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL16847373 | 0.80 | ESR1 (0.41) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL6682667 | 0.79 | CYP1A2 (0.44) | CHRM3CHRM2CHRM1TAAR1LMNA | |
| SCHEMBL3225215 | 0.79 | ESR1 (0.39) | ESR1CHRM3CHRM2CHRM1TAAR1 | |
| SCHEMBL158683 | 0.78 | ESR1 (0.51) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL9832420 | 0.76 | RIPK1 (0.38) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL28855768 | 0.76 | ESR1 (0.41) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL5684867 | 0.76 | ESR1 (0.41) | ESR1CHRM3CHRM2CHRM1CNR1 | |
| SCHEMBL15130335 | 0.75 | CHRM3 (0.42) | ESR1CHRM3CHRM2CHRM1KMT2A | |
| SCHEMBL5929581 | 0.75 | CHRM3 (0.39) | ESR1CHRM3CHRM2CHRM1KMT2A |
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-1476439-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | Degussa AG (DE) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003070720-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | DEGUSSA AG (DE) | 2003-08-28 | — | — | WO | disclosed |