Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.37 |
| ▸ | RELA | Q04206 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8570193 | 1.00 | CYP2C9 (0.44) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8572821 | 0.97 | CYP2C9 (0.45) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8572819 | 0.97 | CYP2C9 (0.45) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8567900 | 0.92 | CYP2C9 (0.53) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8567902 | 0.92 | CYP2C9 (0.53) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8025949 | 0.91 | CYP2C9 (0.47) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8052326 | 0.91 | CYP2C9 (0.47) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8215840 | 0.88 | CYP2C9 (0.48) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8528538 | 0.88 | CYP2C9 (0.48) | CYP2C9LMNAMAPTALDH1A1NPC1 | |
| SCHEMBL8569491 | 0.88 | CYP2C9 (0.40) | CYP2C9LMNAMAPTALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5716543-A | GOOD TEMPERATURE BEHAVIOR OF NEMATIC PHASE; SOLUBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-02-10 | — | — | US | disclosed |