Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 8/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11746507 | 0.82 | KDM4E (0.42) | ACHECYP3A4HTR1ACYP1A2CYP2D6 | |
| SCHEMBL13072958 | 0.82 | PNMT (0.62) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL11727741 | 0.74 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL11727749 | 0.74 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL11743824 | 0.73 | ACHE (0.47) | ACHECYP3A4HTR1ACYP1A2CYP2D6 | |
| SCHEMBL11164603 | 0.73 | EGLN1 (0.44) | ACHECYP3A4HTR1AALOX15MAPK1 | |
| SCHEMBL1011095 | 0.72 | PNMT (0.51) | PNMTADRA2AADRA2BADRA2CACHE | |
| SCHEMBL8410159 | 0.71 | DRD2 (0.44) | PNMTADRA2AADRA2BADRA2CCYP3A4 | |
| Hydrochloric Acid SCHEMBL11166549 | 0.71 | EGLN1 (0.43) | ACHECYP3A4HTR1AALOX15MAPK1 | |
| SCHEMBL4689086 | 0.71 | KDM4E (0.42) | ACHECYP3A4HTR1ACYP2D6MAPK1 |
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-5919794-A | Methods of using pharmaceutical tetrahydroisoquinolines | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-07-06 | — | — | US | disclosed |