Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358439 | 0.83 | SLC6A2 (0.61) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL2313943 | 0.81 | SLC6A2 (0.58) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL7666090 | 0.81 | SLC6A2 (0.58) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL17832229 | 0.80 | SLC6A2 (0.52) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL347187 | 0.80 | SLC6A2 (0.64) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL1572105 | 0.80 | SLC6A2 (0.64) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| Ammonia Solution, Strong SCHEMBL29011215 | 0.79 | SLC6A2 (0.56) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| Ammonia Solution, Strong SCHEMBL10608295 | 0.78 | SLC6A2 (0.61) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL3461269 | 0.77 | SLC6A2 (0.54) | SLC6A2TAAR1CYP2D6LMNATRPA1 | |
| SCHEMBL4909470 | 0.77 | SLC6A2 (0.67) | SLC6A2TAAR1CYP2D6LMNATRPA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853686-A | Triazole ketone compound and medical application thereof | 中国药科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-106588651-B | Phenylethylene quaternary carbon compound and preparation method thereof | 上海大学 | 2019-10-11 | — | — | CN | disclosed |
| CN-106588651-A | Styrenic quaternary carbon compound and preparation method thereof | 上海大学 | 2017-04-26 | — | — | CN | disclosed |
| EP-2004667-A2 | NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES | Sun Pharma Advanced Research Company Limited (IN) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007099548-A2 | NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2007-09-07 | — | — | WO | disclosed |
| US-4785100-A | BROMINATION FOLLOWED BY AMINATION | HUELS AKTIENGESELLSHAFT (DE) | 1988-11-15 | — | — | US | disclosed |
| EP-0262348-A2 | Process for the preparation of N-substituted morpholine and piperidine derivatives | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-04-06 | — | — | EP | disclosed |