Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | BMP1 | P13497 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7045305 | 0.91 | DAGLA (0.52) | CES1EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL6472183 | 0.83 | FAAH (0.48) | CES1EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL6465141 | 0.81 | CTSS (0.48) | CES1EPHX2MEN1KMT2ADAGLA | |
| SCHEMBL6468629 | 0.81 | CTSS (0.48) | CES1EPHX2MEN1KMT2ADAGLA | |
| SCHEMBL6463419 | 0.81 | CTSS (0.48) | CES1EPHX2MEN1KMT2ADAGLA | |
| SCHEMBL6473243 | 0.81 | BMP1 (0.41) | CES1EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL6464884 | 0.80 | CTSS (0.49) | CES1MEN1KMT2ADAGLACTSL | |
| SCHEMBL6464300 | 0.80 | CTSS (0.44) | MEN1KMT2ADAGLACTSLCTSB | |
| SCHEMBL7048644 | 0.80 | FAAH (0.47) | CES1ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL7045308 | 0.78 | CTSS (0.49) | MEN1KMT2ADAGLACTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |