Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL2888007 | 0.84 | AKR1C3 (0.54) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL8958863 | 0.82 | AKR1C3 (0.52) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL8958858 | 0.82 | AKR1C3 (0.52) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL10584486 | 0.80 | CES2 (0.50) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL8047995 | 0.80 | CES2 (0.50) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL7942173 | 0.78 | ALDH1A1 (0.56) | AKR1C3CES2CES1PTPN1NPC1 | |
| SCHEMBL3563640 | 0.77 | CYP1A1 (0.61) | NR4A1NR4A2NR4A3CES2CES1 | |
| SCHEMBL3563636 | 0.77 | CYP1A1 (0.61) | NR4A1NR4A2NR4A3CES2CES1 | |
| SCHEMBL28550534 | 0.76 | AKR1C3 (0.68) | AKR1C3CES2CES1SRD5A2CYP1A1 | |
| SCHEMBL7228800 | 0.76 | CES2 (0.59) | NR4A1NR4A2NR4A3CES2CES1 |
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 |