Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2050725 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL515643 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL541628 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL515189 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL2048861 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL514845 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL3493992 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL28883791 | 1.00 | SLC18A3 (0.44) | SLC18A3NAAANPC1LMNATP53 | |
| SCHEMBL27967862 | 0.92 | NAAA (0.46) | NAAANPC1LMNATP53HPGD | |
| SCHEMBL27967864 | 0.92 | NAAA (0.46) | NAAANPC1LMNATP53HPGD |
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-2414339-A1 | KINETIC RESOLUTION OF (4S)-4-PHENYL-3-Ý5(RS)-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL¨-1,3 OXAZOLIDIN 2-ONE TO (5S) ISOMER VIA LIPASE CATALYZED ENANTIOSELECTIVE ESTERIFICATION OF THE (5R) ISOMER | Lupin Ltd. (IN) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010113184-A1 | KINETIC RESOLUTION OF (4S)-4-PHENYL-3-[5(RS)-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL] -1,3 OXAZOLIDIN 2-ONE TO (5S) ISOMER VIA LIPASE CATALYZED ENANTIOSELECTIVE ESTERIFICATION OF THE (5R) ISOMER | LUPIN LIMITED (IN) | 2010-10-07 | — | — | WO | disclosed |