Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8610760 | 0.86 | PGR (0.35) | ALDH1A1LMNA | |
| SCHEMBL8613817 | 0.80 | PNMT (0.41) | CYP3A4LMNA | |
| SCHEMBL8616157 | 0.79 | ADRA2A (0.36) | — | |
| SCHEMBL4626063 | 0.74 | ADRA2A (0.40) | — | |
| SCHEMBL7642900 | 0.73 | ADRA2A (0.40) | — | |
| Atipamezole SCHEMBL881064 | 0.71 | ADRA2A (0.51) | CYP3A4TSHRLMNA | |
| Fipamezole SCHEMBL935549 | 0.70 | ADRA2A (0.57) | — | |
| SCHEMBL8610304 | 0.70 | ADRA2A (0.40) | — | |
| Fipamezole SCHEMBL1271449 | 0.70 | ADRA2A (0.57) | — | |
| Atipamezole SCHEMBL3526769 | 0.70 | ADRA2A (0.50) | CYP3A4TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0618906-B1 | SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE | JUVANTIA PHARMA LTD OY (FI) | 1998-04-22 | — | — | EP | disclosed |
| US-5498623-A | MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS | ORION-YHTYMA OY (FI) | 1996-03-12 | — | — | US | disclosed |