Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LIPE | Q05469 | 1/20 | 0.46 |
| ▸ | POLQ | O75417 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27945127 | 0.98 | LIPE (0.45) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL243741 | 0.82 | POLB (0.51) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL762423 | 0.82 | ALDH1A1 (0.50) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL6644466 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL761923 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL10597175 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL424554 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| Hydrochloric Acid SCHEMBL11804810 | 0.81 | POLB (0.50) | CYP2D6CYP2C19LIPEPOLQPOLB | |
| SCHEMBL3726837 | 0.80 | HTT (0.53) | CYP2D6CYP2C19POLBKMT2AHTT | |
| SCHEMBL8668737 | 0.78 | TSHR (0.46) | POLBKMT2AHTTNPC1RAB9A |
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-1998042656-A1 | NOVEL COMPOUNDS | CYTEL CORPORATION (US) | 1998-10-01 | — | — | WO | disclosed |