Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11555943 | 0.85 | ALDH1A1 (0.39) | ALDH1A1ALOX15TSHRHTTTP53 | |
| SCHEMBL16245167 | 0.84 | TSHR (0.46) | ALDH1A1ALOX15TSHRHTTTP53 | |
| SCHEMBL3145722 | 0.82 | LMNA (0.46) | ALDH1A1TSHRHTTTP53PRMT5 | |
| SCHEMBL534811 | 0.82 | HTT (0.56) | ALDH1A1ALOX15TSHRHTTTP53 | |
| SCHEMBL31617745 | 0.82 | HTT (0.56) | ALDH1A1ALOX15TSHRHTTTP53 | |
| SCHEMBL23292529 | 0.81 | CTSD (0.59) | ALDH1A1TSHRPRMT5LMNACTSD | |
| SCHEMBL28343391 | 0.81 | ALDH1A1 (0.52) | ALDH1A1ALOX15TSHRHTTTP53 | |
| SCHEMBL9259808 | 0.81 | HDAC3 (0.39) | ALDH1A1TSHRHTTTP53PRMT5 | |
| SCHEMBL9021410 | 0.81 | HDAC3 (0.39) | ALDH1A1TSHRHTTTP53PRMT5 | |
| SCHEMBL3150175 | 0.81 | ALDH1A1 (0.62) | ALDH1A1ALOX15TSHRHTTLMNA |
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-1379525-A2 | HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | NPS PHARMACEUTICALS, INC. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002068417-A3 | HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | SLASSI ABDELMALIK (CA) | 2002-11-14 | — | — | WO | disclosed |
| WO-2002068417-A2 | HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | NPS PHARMACEUTICALS, INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| US-4960943-A | ACYLATING REACTION IN THE PRESENCE OF ZEOLITE CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | disclosed |
| EP-0155792-B1 | BENZOATE DERIVATIVES HAVING POSITIVE DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM | Chisso Corporation (JP) | 1987-06-16 | — | — | EP | disclosed |
| US-4661283-A | Benzoate derivatives having a large positive dielectric anisotropy value and liquid crystal compositions containing same | CHISSO CORPORATION (JP) | 1987-04-28 | — | — | US | disclosed |
| EP-0155792-A1 | Benzoate derivatives having positive dielectric anisotropy and liquid crystal compositions containing them | Chisso Corporation (JP) | 1985-09-25 | — | — | EP | disclosed |