Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
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 | 0.81 | S100A9 (0.35) | NR1I2HSD11B1KDM4EMEN1ALDH1A1 | |
| SCHEMBL8149329 | 0.78 | PTGS2 (0.42) | NR1I2HSD11B1HTTSMN1; SMN2KDM4E | |
| SCHEMBL7916641 | 0.75 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7916846 | 0.73 | CHRNB2 (0.42) | CHRNB2CHRNA4NR1I2HSD11B1HTT | |
| SCHEMBL7919134 | 0.73 | ALDH1A1 (0.33) | TSHRHTTSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7909970 | 0.72 | ADORA2A (0.35) | — | |
| SCHEMBL9080396 | 0.71 | ALDH1A1 (0.45) | TSHRHTTSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL31045735 | 0.70 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL8118971 | 0.68 | MAPT (0.36) | NR1I2HSD11B1HTTSMN1; SMN2KDM4E | |
| SCHEMBL8177172 | 0.68 | NR1I2 (0.35) | NR1I2HSD11B1 |
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 |