Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7919399 | 0.79 | S100A9 (0.35) | NR1I2HSD11B1ALDH1A1MAPT | |
| SCHEMBL7909970 | 0.78 | ADORA2A (0.35) | — | |
| SCHEMBL7919587 | 0.73 | CHRNB2 (0.46) | CHRNB2CHRNA4NR1I2HSD11B1ALDH1A1 | |
| SCHEMBL28003186 | 0.71 | NR1I2 (0.48) | NR1I2HSD11B1ALDH1A1MAPTGAA | |
| SCHEMBL28003240 | 0.71 | MAPT (0.46) | NR1I2HSD11B1MAPT | |
| SCHEMBL8149329 | 0.70 | PTGS2 (0.42) | NR1I2HSD11B1ALDH1A1MAPTGAA | |
| SCHEMBL8177172 | 0.70 | NR1I2 (0.35) | NR1I2HSD11B1 | |
| SCHEMBL26951482 | 0.69 | CYP3A4 (0.36) | NR1I2HSD11B1 | |
| SCHEMBL8118971 | 0.69 | MAPT (0.36) | NR1I2HSD11B1ALDH1A1MAPTLMNA | |
| SCHEMBL3967152 | 0.67 | L3MBTL1 (0.50) | ALDH1A1GAAHTTNPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |