Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | MPL | P40238 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL515164 | 0.82 | IDO1 (0.50) | IDO1 | |
| SCHEMBL25870492 | 0.82 | AKR1B1 (0.38) | AKR1B1IDO1P2RX7FFAR4CD38 | |
| SCHEMBL6063364 | 0.80 | IDO1 (0.41) | IDO1P2RX7 | |
| SCHEMBL5415312 | 0.79 | GABRA1 (0.46) | AKR1B1IDO1P2RX7CD38CTSS | |
| SCHEMBL41933 | 0.76 | MAOB (0.47) | AKR1B1IDO1P2RX7CD38MPL | |
| SCHEMBL13551083 | 0.76 | EPHX2 (0.40) | AKR1B1IDO1P2RX7CD38CTSS | |
| SCHEMBL17830317 | 0.76 | AKR1B1 (0.40) | AKR1B1IDO1P2RX7CD38MPL | |
| SCHEMBL150130 | 0.75 | IDO1 (0.46) | AKR1B1IDO1P2RX7FFAR4MPL | |
| SCHEMBL20560274 | 0.75 | AKR1B1 (0.42) | AKR1B1IDO1P2RX7FFAR4MPL | |
| SCHEMBL1145792 | 0.75 | MPO (0.36) | — |
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-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |