Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2162150 | 0.80 | CES1 (0.52) | CES1TRPA1 | |
| SCHEMBL7562251 | 0.80 | SLC6A2 (0.55) | CYP1A2SLC6A2SLC6A4SLC6A3CES1 | |
| SCHEMBL3712032 | 0.80 | CYP1A2 (0.46) | CYP1A2SLC6A2SLC6A4SLC6A3EPHX1 | |
| SCHEMBL27946805 | 0.77 | SLC6A2 (0.48) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL27813115 | 0.77 | SLC6A2 (0.48) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL12495184 | 0.77 | TAAR1 (0.41) | CYP1A2IDO1TAAR1SLC6A9CYP3A4 | |
| SCHEMBL6839728 | 0.77 | P2RX7 (0.35) | CYP1A2SLC6A9 | |
| SCHEMBL27833164 | 0.76 | SLC6A2 (0.47) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL28595047 | 0.74 | GOT1 (0.34) | CYP1A2SLC6A9 | |
| SCHEMBL6691295 | 0.74 | HIF1A (0.43) | CYP1A2SLC6A2SLC6A4SLC6A3TAAR1 |
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-2081931-A2 | FUSED HETEROCYCLIC DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR | Amgen Inc. (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008008539-A2 | FUSED HETEROCYCLIC DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR | AMGEN INC. (US) | 2008-01-17 | — | — | WO | disclosed |