Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 4/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6607512 | 0.84 | AKR1B1 (0.42) | AKR1B1PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL8799968 | 0.77 | OPRM1 (0.35) | CHRNB4CHRNA3ALDH1A1MEN1KMT2A | |
| SCHEMBL9050223 | 0.77 | HTR2C (0.43) | AKR1B1 | |
| Hydrochloric Acid SCHEMBL7322543 | 0.76 | CHRNA7 (0.39) | AKR1B1PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL9055459 | 0.73 | OPRD1 (0.41) | AKR1B1 | |
| SCHEMBL8800284 | 0.73 | OPRD1 (0.41) | AKR1B1 | |
| SCHEMBL6604834 | 0.72 | ADRA2A (0.41) | AKR1B1PNMTADRA2ACHRNB4CHRNA3 | |
| SCHEMBL12862872 | 0.70 | ADRA2A (0.41) | AKR1B1PNMTADRA2ACHRNB4CHRNA3 | |
| SCHEMBL11255683 | 0.67 | PNMT (0.44) | PNMTADRA2AADRA2BADRA2CCHRNB4 | |
| SCHEMBL12211678 | 0.66 | AKR1B1 (0.41) | AKR1B1CHRNB4CHRNA3ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996011934-A1 | TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-04-25 | — | — | WO | disclosed |