Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL324618 | 0.93 | ALDH1A1 (0.35) | ALDH1A1CYP2C9HPGDHSD17B10MEN1 | |
| Ether SCHEMBL7679488 | 0.90 | ALDH1A1 (0.43) | ALDH1A1CYP2C9HPGDHSD17B10MEN1 | |
| Hexane SCHEMBL3615974 | 0.89 | PLA2G1B (0.35) | ALDH1A1HSD17B10MEN1KMT2ATSHR | |
| Cyclohexane SCHEMBL7301137 | 0.84 | MEN1 (0.31) | ALDH1A1MEN1POLBKMT2A | |
| Ether SCHEMBL6783353 | 0.84 | MEN1 (0.31) | ALDH1A1MEN1POLBKMT2A | |
| Ether SCHEMBL7435965 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHR | |
| Methyl Alcohol SCHEMBL341831 | 0.82 | — | — | |
| Ether SCHEMBL135123 | 0.82 | — | — | |
| Ether SCHEMBL8349382 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHR | |
| Hexane SCHEMBL2037219 | 0.81 | TSHR (0.39) | ALDH1A1MEN1KMT2ATSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115732-A1 | CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS | Pfizer Products Inc. (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017218-A1 | CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS | PFIZER PRODUCTS INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| US-4716170-A | 5-[1H-(5-membered-N-aromatic heteryl)-1-yl]-1,6-naphthyridin-2(1H)-ones and their cardiotonic use | STERLING DRUG INC. (US) | 1987-12-29 | — | — | US | disclosed |
| US-4697021-A | 1,6-dihydro-6-oxo-3-pyridinecarbonitriles, intermediates for cardiotonic agents | STERLING DRUG INC. (US) | 1987-09-29 | — | — | US | disclosed |
| US-4657915-A | INOTROPIC AGENTS | STERLING DRUG INC. (US) | 1987-04-14 | — | — | US | disclosed |
| US-4634772-A | 2-[2-(di-lower-alkylamino)-1-propenyl]-6-methoxy-3-pyridinecarbonitriles, intermediates for cardiotonic agents | STERLING DRUG INC. (US) | 1987-01-06 | — | — | US | disclosed |
| EP-0189853-A2 | 1,6-Naphthyridin-2(1H)-ones having cardiotonic activity and preparation | STERLING DRUG INC. (US) | 1986-08-06 | — | — | EP | disclosed |