Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9056097 | 0.86 | CYP3A4 (0.50) | SLC22A12CYP3A4SMN1; SMN2ALOX15MAPT | |
| SCHEMBL6748804 | 0.82 | CNR2 (0.75) | SLC22A12CYP3A4SMN1; SMN2ALOX15MAPT | |
| SCHEMBL15864338 | 0.80 | ALOX5 (0.70) | L3MBTL1ALOX5KDM4ETSHRALDH1A1 | |
| SCHEMBL5138931 | 0.79 | KDM4E (0.74) | CYP3A4SMN1; SMN2ALOX15MAPTCASP1 | |
| SCHEMBL6746977 | 0.77 | CNR2 (0.82) | SLC22A12CYP3A4SMN1; SMN2ALOX15MAPT | |
| SCHEMBL1287454 | 0.75 | SLC22A12 (1.00) | SLC22A12CYP3A4SMN1; SMN2ALOX15MAPT | |
| SCHEMBL8478123 | 0.74 | MEN1 (0.49) | SLC22A12CYP3A4SMN1; SMN2MAPTCNR1 | |
| SCHEMBL7638171 | 0.74 | CNR2 (0.69) | CYP3A4SMN1; SMN2ALOX15MAPTCNR1 | |
| SCHEMBL28302190 | 0.73 | ALOX5 (0.73) | CYP3A4SMN1; SMN2ALOX5KDM4ETSHR | |
| SCHEMBL15865400 | 0.72 | AR (0.47) | CYP3A4SMN1; SMN2ALOX15MAPTL3MBTL1 |
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-0736007-A4 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0736007-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017382-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |