Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14120499 | 0.86 | RXRA (0.51) | KIF11ALDH1A1HSD17B10TDP1RXRA | |
| SCHEMBL5553604 | 0.85 | PTGES2 (0.44) | KIF11ALDH1A1HSD17B10TDP1ACLY | |
| SCHEMBL7538033 | 0.84 | KIF11 (0.47) | KIF11ALDH1A1HSD17B10TDP1MAPT | |
| SCHEMBL67742 | 0.82 | CES2 (0.48) | KIF11ALDH1A1HSD17B10TDP1MAPT | |
| SCHEMBL3071920 | 0.81 | KIF11 (0.66) | KIF11MMP2MMP9PDPK1MMP1 | |
| SCHEMBL21993320 | 0.80 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TDP1MMP2MMP14 | |
| SCHEMBL48861 | 0.80 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TDP1MMP2MMP14 | |
| Hydrochloric Acid SCHEMBL5174554 | 0.78 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TDP1MMP2MMP12 | |
| SCHEMBL14120723 | 0.75 | CA1 (0.45) | KIF11ALDH1A1HSD17B10TDP1ACLY | |
| SCHEMBL9996829 | 0.75 | KIF11 (0.54) | KIF11ACLYPTPN1MMP2MMP9 |
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-1610753-A4 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1610753-A2 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC. (US) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004073634-A2 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC. (US) | 2004-09-02 | — | — | WO | disclosed |