Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8058606 | 1.00 | PTGS1 (0.47) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL28915270 | 0.85 | CYP1A2 (0.47) | HDAC1CYP1A2ALDH1A1 | |
| SCHEMBL30103347 | 0.85 | CYP1A2 (0.47) | HDAC1CYP1A2ALDH1A1 | |
| SCHEMBL13539102 | 0.85 | HDAC3 (0.47) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL8880883 | 0.84 | ALDH1A1 (0.46) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL8880889 | 0.84 | ALDH1A1 (0.46) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL30587843 | 0.83 | HDAC3 (0.46) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL16969110 | 0.83 | NPSR1 (0.55) | PTGS1PTGS2NQO2CYP1A2CYP1A1 | |
| SCHEMBL6064986 | 0.82 | HDAC3 (0.45) | PTGS1PTGS2NQO2HDAC3ADAM17 | |
| SCHEMBL8654689 | 0.81 | HDAC3 (0.45) | PTGS1PTGS2NQO2HDAC3ADAM17 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127392-A | A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |
| EP-1003712-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| US-6046239-A | USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-04-04 | — | — | US | disclosed |
| WO-1999007669-A1 | ANTHRANILIC ACID ANALOGS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |