Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | ACP3 | P15309 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5941218 | 0.94 | CES2 (0.56) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL10740818 | 0.92 | L3MBTL1 (0.54) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL7560417 | 0.81 | L3MBTL1 (0.66) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL13517304 | 0.80 | ALDH1A1 (0.53) | ACP3MAPTNPC1RAB9APOLB | |
| SCHEMBL8279 | 0.79 | TDP1 (0.58) | CES2CES1POLBALDH1A1L3MBTL1 | |
| SCHEMBL1716394 | 0.77 | ACP3 (0.61) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL6504793 | 0.77 | ACP3 (0.61) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL2922278 | 0.77 | L3MBTL1 (0.69) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL6755554 | 0.76 | ACP3 (0.59) | CES2CES1ACP3MAPTNPC1 | |
| SCHEMBL28833357 | 0.74 | KLK7 (0.62) | ACP3MAPTNPC1RAB9APOLB |
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-5877321-A | NEUROKININ RECEPTOR | SANOFI (FR) | 1999-03-02 | — | — | US | claimed |