Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28933993 | 0.82 | ATM (0.54) | NPSR1ATMCNR2CYP3A4TACR3 | |
| SCHEMBL11697241 | 0.82 | ATM (0.56) | NPSR1ATMCNR1CNR2TSHR | |
| SCHEMBL11744809 | 0.82 | FOLH1 (0.52) | NPSR1ATMANPEPCNR2TSHR | |
| SCHEMBL29948081 | 0.82 | FOLH1 (0.52) | NPSR1ATMANPEPCNR2TSHR | |
| SCHEMBL844431 | 0.82 | ATM (0.56) | NPSR1ATMCNR2TSHRCYP3A4 | |
| SCHEMBL3217896 | 0.82 | ATM (0.56) | NPSR1ATMCNR2TSHRCYP3A4 | |
| SCHEMBL844432 | 0.82 | ATM (0.56) | NPSR1ATMCNR2TSHRCYP3A4 | |
| SCHEMBL11742771 | 0.82 | MEN1 (0.48) | NPSR1ATMANPEPTSHRCYP3A4 | |
| SCHEMBL12863009 | 0.82 | MEN1 (0.48) | NPSR1ATMANPEPTSHRCYP3A4 | |
| SCHEMBL22169662 | 0.81 | NPSR1 (0.73) | NPSR1CNR1KDM4EGAAHTT |
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-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |