Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | RORB | Q92753 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705167 | 0.95 | NTRK1 (0.34) | NTRK1TACR1AKT1PIK3CAMTOR | |
| SCHEMBL4705298 | 0.88 | RORB (0.36) | TACR1P2RX7RORCRORBTHRB | |
| SCHEMBL4706174 | 0.85 | ALDH1A1 (0.33) | NTRK1TACR1KMT2AIDO1TDO2 | |
| SCHEMBL4708167 | 0.85 | RORB (0.36) | TACR1RORCRORBTSHRALDH1A1 | |
| SCHEMBL4706589 | 0.84 | TACR1 (0.37) | TACR1RORCRORBALDH1A1 | |
| SCHEMBL4708724 | 0.83 | MEN1 (0.34) | NTRK1TACR1AKT1PIK3CAMTOR | |
| SCHEMBL4708201 | 0.82 | TSHR (0.35) | NTRK1MEN1POLBTSHRKMT2A | |
| SCHEMBL4707556 | 0.82 | RORB (0.39) | NTRK1AKT1PIK3CAMTORP2RX7 | |
| SCHEMBL4705655 | 0.81 | AKT1 (0.39) | NTRK1AKT1PIK3CAMTORP2RX7 | |
| SCHEMBL4705422 | 0.81 | AKT1 (0.38) | NTRK1AKT1PIK3CAMTORP2RX7 |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |