Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 3/20 | 0.56 |
| ▸ | MMP9 | P14780 | 3/20 | 0.56 |
| ▸ | MMP8 | P22894 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7672641 | 0.84 | MMP2 (0.61) | POLBCTDSP1MMP2MMP9MMP8 | |
| SCHEMBL8700131 | 0.83 | MAPT (0.57) | POLBCTDSP1MMP2MMP9MMP8 | |
| SCHEMBL7848686 | 0.82 | MMP2 (0.69) | POLBCTDSP1MMP2MMP9MMP8 | |
| SCHEMBL23380924 | 0.80 | POLB (0.66) | POLBCTDSP1MMP9MMP8CYP3A4 | |
| SCHEMBL17017538 | 0.78 | POLB (0.69) | POLBCTDSP1MMP9MMP8CYP3A4 | |
| SCHEMBL1852233 | 0.78 | CYP1A2 (0.64) | CYP3A4CYP1A2CYP2C19MAPTKDM4E | |
| SCHEMBL7676941 | 0.77 | KDM4E (0.64) | POLBCTDSP1MMP9MMP8CYP3A4 | |
| SCHEMBL7670517 | 0.76 | KDM4E (0.60) | POLBCTDSP1MMP2MMP9MMP8 | |
| SCHEMBL7844667 | 0.76 | POLB (0.61) | POLBCTDSP1MMP2MMP9MMP8 | |
| SCHEMBL7852936 | 0.76 | POLB (0.55) | POLBCTDSP1MMP2MMP9MMP8 |
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-1140914-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037462-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2000-06-29 | — | — | WO | disclosed |