Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27552831 | 0.88 | CYP3A4 (0.44) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL27552817 | 0.88 | CYP3A4 (0.44) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL3233706 | 0.84 | CYP3A4 (0.62) | CYP3A4TSHR | |
| SCHEMBL31495246 | 0.84 | CYP3A4 (0.55) | CYP3A4TSHRCA1CA2BCHE | |
| SCHEMBL124571 | 0.84 | CYP3A4 (0.55) | CYP3A4 | |
| SCHEMBL28909491 | 0.84 | CA2 (0.60) | CYP3A4LMNACYP1A2TSHRNPC1 | |
| SCHEMBL31169498 | 0.83 | CYP3A4 (0.50) | CYP3A4NPC1RAB9A | |
| SCHEMBL19904729 | 0.83 | TSHR (0.55) | CYP3A4TSHR | |
| SCHEMBL31495237 | 0.83 | CYP3A4 (0.53) | CYP3A4CA1CA2BCHEACHE | |
| SCHEMBL14216109 | 0.83 | CYP3A4 (0.53) | CYP3A4TSHRCA1CA2BCHE |
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-2097428-B1 | BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | MGP BIOTECHNOLOGIES INC (US) | 2018-02-28 | — | — | EP | disclosed |