Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2094184 | 0.82 | KDM4E (0.38) | GAANPSR1POLBL3MBTL1 | |
| SCHEMBL6766193 | 0.80 | RXRA (0.47) | SLC6A4MRGPRX4MMP2MMP9MMP14 | |
| SCHEMBL364380 | 0.73 | GAA (0.42) | SLC6A2SLC6A4SLC6A3EPHX2GAA | |
| SCHEMBL5847233 | 0.72 | MAOB (0.46) | SLC6A4MRGPRX4MMP2MMP9MMP14 | |
| SCHEMBL12952672 | 0.71 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3EPHX2KIF11 | |
| SCHEMBL28780452 | 0.71 | EPHX2 (0.50) | SLC6A2SLC6A4SLC6A3EPHX2KIF11 | |
| SCHEMBL2091702 | 0.71 | KMT2A (0.47) | SLC6A2SLC6A4SLC6A3GAAKMT2A | |
| SCHEMBL2092730 | 0.71 | MPL (0.47) | EPHX2GAAL3MBTL1 | |
| SCHEMBL5919466 | 0.70 | SLC22A12 (0.42) | — | |
| SCHEMBL9590947 | 0.70 | CTNNB1 (0.45) | GAAPPARGPPARAPOLBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |