Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555057 | 0.83 | NR4A2 (0.51) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8552887 | 0.83 | NR4A2 (0.47) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8558360 | 0.81 | RXRA (0.50) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8557576 | 0.75 | MEN1 (0.52) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8553475 | 0.74 | GAA (0.45) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL2327539 | 0.73 | ALDH1A1 (0.64) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8557330 | 0.73 | CETP (0.43) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8554703 | 0.73 | GAA (0.43) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL8556400 | 0.72 | NR4A2 (0.41) | CYP3A4ADRA1ADRD3TSHRLMNA | |
| SCHEMBL8552938 | 0.72 | RXRA (0.46) | KCNH2KMT2AALDH1A1KDRRXRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0582164-B1 | Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles | BRISTOL MYERS SQUIBB CO (US) | 1998-12-23 | — | — | EP | claimed |
| US-5382584-A | Antiischemic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-01-17 | — | — | US | claimed |
| EP-0582164-A1 | Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles | Bristol-Myers Squibb Company (US) | 1994-02-09 | — | — | EP | claimed |