Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24104236 | 0.82 | CYP3A4 (0.41) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL24373534 | 0.80 | CYP3A4 (0.62) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL21120986 | 0.79 | TSHR (0.43) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL9417298 | 0.79 | KMT2A (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL22504879 | 0.78 | CYP3A4 (0.38) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL7456451 | 0.77 | RAPGEF4 (0.39) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL357123 | 0.76 | SHBG (0.39) | ALDH1A1MAPTRAPGEF4TSHRSHBG | |
| SCHEMBL30425753 | 0.76 | SHBG (0.39) | ALDH1A1MAPTRAPGEF4TSHRSHBG | |
| SCHEMBL25950809 | 0.75 | HSPA5 (0.52) | CYP3A4ALOX15ALDH1A1MAPTTSHR | |
| SCHEMBL866775 | 0.74 | SHBG (0.63) | MAOAALDH1A1MAPTSHBGKDM4E |
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-4332812-A | ANTIARTHRITIC | E. R. SQUIBB & SONS, INC. (US) | 1982-06-01 | — | — | US | claimed |