Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2095902 | 0.85 | NPC1 (0.54) | ALDH1A1TSHRGAALTA4H | |
| SCHEMBL9514574 | 0.83 | NQO1 (0.70) | NQO1MAPTTDP1POLBKMT2A | |
| SCHEMBL8325875 | 0.83 | NQO1 (0.70) | NQO1MAPTTDP1POLBKMT2A | |
| SCHEMBL49554 | 0.83 | NQO1 (0.70) | NQO1MAPTTDP1POLBKMT2A | |
| 1,4-Diethoxybenzene SCHEMBL27616183 | 0.82 | NQO1 (0.88) | NQO1MAPTTDP1ALDH1A1TSHR | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.82 | NQO1 (1.00) | NQO1MAPTTDP1POLBALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.82 | NQO1 (1.00) | NQO1MAPTTDP1POLBALDH1A1 | |
| SCHEMBL947414 | 0.81 | NQO1 (0.67) | NQO1MAPTTDP1POLBKMT2A | |
| SCHEMBL27611529 | 0.80 | NQO1 (0.58) | NQO1MAPTTDP1POLBKMT2A | |
| SCHEMBL5907200 | 0.79 | NQO1 (0.64) | NQO1MAPTTDP1POLBKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100389105-C | Substituted benzal cyclopentanone derivatives and their use | UNIV GUANGDONG PHARM (CN) | 2008-05-21 | — | — | CN | claimed |
| CN-1634868-A | Substituted benzal cyclopentanone derivatives and their use | UNIV GUANGDONG PHARM (CN) | 2005-07-06 | — | — | CN | claimed |
| CN-100389105-C | Substituted benzal cyclopentanone derivatives and their use | UNIV GUANGDONG PHARM (CN) | 2008-05-21 | — | — | CN | disclosed |
| CN-1634868-A | Substituted benzal cyclopentanone derivatives and their use | UNIV GUANGDONG PHARM (CN) | 2005-07-06 | — | — | CN | disclosed |
| EP-0232623-B1 | 1-CARBACEPHALOSPORIN ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0232623-A1 | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |