Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | PPARA | Q07869 | 6/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514188 | 1.00 | LMNA (0.46) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL7847438 | 1.00 | LMNA (0.46) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL9562087 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL11069975 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL7091533 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL11613413 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL11613415 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL9562083 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL7091531 | 0.98 | TDP1 (0.47) | LMNATDP1TSHRALDH1A1CES2 | |
| SCHEMBL9688501 | 0.94 | LMNA (0.40) | LMNATDP1TSHRALDH1A1CES2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751133-B1 | Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same | MITSUI CHEMICALS INC (JP) | 2001-09-12 | — | — | EP | disclosed |
| EP-0751133-A1 | Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-01-02 | — | — | EP | disclosed |
| EP-0387032-B1 | TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | CHISSO CORP (JP) | 1993-06-16 | — | — | EP | disclosed |
| EP-0238576-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |
| US-5032313-A | Trifluorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |
| US-5002694-A | Nitrogen-containing heterocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-03-26 | — | — | US | disclosed |
| EP-0387032-A1 | Trifluorobenzene derivatives and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1990-09-12 | — | — | EP | disclosed |
| EP-0238576-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS. | MERCK PATENT GMBH (DE) | 1987-09-30 | — | — | EP | disclosed |
| WO-1987001701-A2 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-03-26 | — | — | WO | disclosed |
| US-4309539-A | ELECTROOPTICS | HOFFMANN-LA ROCHE INC. (US) | 1982-01-05 | — | — | US | disclosed |
| US-4062798-A | NEMATIC CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1977-12-13 | — | — | US | disclosed |