Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1164461 | 0.90 | CYP2D6 (0.74) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL23052533 | 0.88 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL27601052 | 0.87 | CYP2D6 (0.70) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL5655445 | 0.85 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL6127516 | 0.84 | CYP2D6 (0.82) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL6127693 | 0.84 | CYP2D6 (0.82) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL1472581 | 0.82 | CYP2D6 (0.79) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL7194116 | 0.82 | CYP2D6 (0.79) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL13103824 | 0.81 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL24811483 | 0.81 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP2C19TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | disclosed |
| US-7084170-B2 | Thiophene-amd thiazolesulfonamides as antineoplastic agents | ELI LILLY AND COMPANY (US) | 2006-08-01 | — | — | US | disclosed |
| CN-1751037-A | Sulfonamide derivatives as PPAR modulators | LILLY CO ELI (US) | 2006-03-22 | — | — | CN | disclosed |