Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 12/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 12/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 11/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | GMNN | O75496 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CFB | P00751 | 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 | |
|---|---|---|---|---|
| SCHEMBL11639239 | 0.82 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| Rilmenidine SCHEMBL114420 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| Rilmenidine SCHEMBL15516636 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL12870235 | 0.75 | — | — | |
| SCHEMBL6369410 | 0.75 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL6367792 | 0.75 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL11638113 | 0.75 | ADRA2A (0.62) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL6367795 | 0.75 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL11140750 | 0.71 | ADRA2A (0.62) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 | |
| SCHEMBL13616145 | 0.71 | ADRA2A (0.62) | ADRA2AADRA2BADRA2CADRA1ACYP3A4 |
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-4102890-A | HYPNOTIC, ANALGESIC, HYPOTENSIVE, CARDIOVASCULAR DEPRESSANTS, NEURO-MODULATORS | SCIENCE-UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) | 1978-07-25 | — | — | US | disclosed |