Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 1/20 | 0.76 |
| ▸ | MMP1 | P03956 | 8/20 | 0.67 |
| ▸ | MMP2 | P08253 | 8/20 | 0.67 |
| ▸ | MMP9 | P14780 | 8/20 | 0.67 |
| ▸ | MAOB | P27338 | 3/20 | 0.67 |
| ▸ | EGFR | P00533 | 3/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048920 | 1.00 | LTB4R (0.76) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8049032 | 0.89 | LTB4R (0.84) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8049033 | 0.89 | LTB4R (0.84) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8060583 | 0.88 | MAOB (0.73) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8060586 | 0.88 | MAOB (0.73) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8059959 | 0.87 | LTB4R (0.69) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8059954 | 0.87 | LTB4R (0.69) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8059640 | 0.86 | LTB4R (0.76) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8060331 | 0.86 | LTB4R (0.76) | LTB4RMMP1MMP2MMP9MAOB | |
| SCHEMBL8060333 | 0.86 | LTB4R (0.76) | LTB4RMMP1MMP2MMP9MAOB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |