Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4282581 | 0.97 | TSHR (0.54) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14448350 | 0.93 | MAPK1 (0.53) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3247280 | 0.90 | CYP3A4 (0.49) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14448347 | 0.89 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3854017 | 0.89 | TUBB4A (0.48) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8323174 | 0.89 | SMPD1 (0.48) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8337903 | 0.89 | SMPD1 (0.48) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14713356 | 0.87 | TSHR (0.48) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3854627 | 0.86 | NPC1 (0.55) | ACHEMAPTBCHESMN1; SMN2KDM4E | |
| SCHEMBL3234539 | 0.86 | NPC1 (0.55) | ACHEMAPTBCHESMN1; SMN2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575890-A1 | PROCESS FOR THE PREPARATION OF 3- 2-(3,4-DIMETHOXY-BENZOYL)- 4,5-DIMETHOXY-PHENYL -PENTAN-2-ONE | EGIS GYOGYSZERGYAR RT. (HU) | 2005-09-21 | — | — | EP | disclosed |
| EP-1465879-A2 | PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES | EGIS GYOGYSZERGYAR RT. (HU) | 2004-10-13 | — | — | EP | disclosed |
| WO-2004054951-A1 | PROCESS FOR THE PREPARATION OF 3-[2-(3,4-DIMETHOXY-BENZOYL)-4,5-DIMETHOXY-PHENYL]-PENTAN-2-ONE | EGIS GYOGYSZERGYAR RT. (HU) | 2004-07-01 | — | — | WO | disclosed |
| WO-2004054952-A1 | PROCESS FOR THE PREPARATION OF 3-[2-(3,4-DIMETHOXYBENZOYL)-4,5- DIMETHOXYPHENYL] -PENTAN-2-ONE | EGIS GYOGYSZERGYAR RT. (HU) | 2004-07-01 | — | — | WO | disclosed |
| WO-2003050092-A2 | PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES | EGIS Gyógyszergyár Rt. (HU) | 2003-06-19 | — | — | WO | disclosed |