Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
| ▸ | KMO | O15229 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11290635 | 0.98 | KMO (0.58) | AKR1C3AKR1C1KMOTRPA1SLC18A3 | |
| SCHEMBL3144653 | 0.91 | AKR1C3 (0.64) | AKR1C3AKR1C1KMOTRPA1SLC18A3 | |
| Bicarbonate SCHEMBL4412934 | 0.91 | KMO (0.58) | AKR1C3AKR1C1KMOTRPA1SLC18A3 | |
| Bicarbonate SCHEMBL4407651 | 0.89 | KMO (0.61) | AKR1C3AKR1C1KMOSLC18A3CYP2D6 | |
| Bicarbonate SCHEMBL9436080 | 0.89 | KMO (0.61) | AKR1C3AKR1C1KMOSLC18A3CYP2D6 | |
| Bicarbonate SCHEMBL4410582 | 0.89 | KMO (0.61) | AKR1C3AKR1C1KMOSLC18A3CYP2D6 | |
| Hydrogen Peroxide SCHEMBL2352938 | 0.89 | SLC18A3 (0.58) | KMOTRPA1SLC18A3CYP2D6SIGMAR1 | |
| Acetic Acid SCHEMBL7274837 | 0.87 | KMO (0.55) | AKR1C3AKR1C1KMOTRPA1SLC18A3 | |
| Bicarbonate SCHEMBL11121465 | 0.86 | AKR1C3 (0.53) | AKR1C3AKR1C1KMOTRPA1SLC18A3 | |
| Hydrogen Peroxide SCHEMBL9997756 | 0.86 | SLC18A3 (0.61) | KMOTRPA1SLC18A3CYP2D6SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6124354-A | TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME | PHARMACIA & UPJOHN AB (SE) | 2000-09-26 | — | — | US | disclosed |
| EP-0923536-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | Pharmacia & Upjohn Aktiebolag (SE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998004517-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-02-05 | — | — | WO | disclosed |