Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27684552 | 0.84 | PDE7A (0.31) | MAPTALDH1A1 | |
| SCHEMBL5078595 | 0.73 | PDE7A (0.31) | — | |
| SCHEMBL28301722 | 0.71 | THRB (0.39) | APEX1THRBTDP1CES2CES1 | |
| SCHEMBL28313300 | 0.70 | GSTO1 (0.32) | THRBCYP2C19ALDH1A1 | |
| SCHEMBL30625890 | 0.70 | SLC7A5 (0.41) | — | |
| SCHEMBL28202397 | 0.68 | THRB (0.37) | APEX1THRBTDP1L3MBTL1LMNA | |
| SCHEMBL4622560 | 0.68 | THRB (0.37) | APEX1THRBTDP1L3MBTL1LMNA | |
| SCHEMBL2490028 | 0.66 | AKR1B1 (0.39) | APEX1THRBTDP1MAPTCYP2C19 | |
| SCHEMBL3916105 | 0.65 | CYP1A2 (0.32) | CYP1A2CYP2C19 | |
| SCHEMBL6187511 | 0.65 | THRB (0.50) | APEX1THRBTDP1RAB9AMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646025-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-10-09 | — | — | EP | disclosed |
| EP-2600863-A2 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-06-12 | — | — | EP | disclosed |
| EP-2571501-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-03-27 | — | — | EP | disclosed |
| EP-2531191-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-12-12 | — | — | EP | disclosed |
| WO-2012072782-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-07 | — | — | WO | disclosed |
| WO-2012016980-A2 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-02-09 | — | — | WO | disclosed |
| WO-2011144721-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |
| WO-2011095584-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-08-11 | — | — | WO | disclosed |
| CN-102018715-A | Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier | PHILADELPHIA HEALTH & EDUCATIO | 2011-04-20 | — | — | CN | disclosed |
| CN-1674879-A | Immunomodulation and effects on cellular processes involving serotonin family receptors and the blood brain barrier | PHILADELPHIA HEALTH & EDUCATIO (US) | 2005-09-28 | — | — | CN | disclosed |