Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL28879852 | 0.87 | TAAR1 (0.43) | ALDH1A1TAAR1CYP3A4KDM4EMAPT | |
| SCHEMBL17113747 | 0.84 | CYP3A4 (0.42) | ALDH1A1TAAR1CYP3A4KDM4EMAPT | |
| SCHEMBL31737497 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MAPTMEN1KMT2AHDAC3 | |
| SCHEMBL23526016 | 0.78 | EED (0.40) | ALDH1A1TAAR1CYP3A4KDM4EMAPT | |
| SCHEMBL29945862 | 0.78 | EED (0.40) | ALDH1A1TAAR1CYP3A4KDM4EMAPT | |
| SCHEMBL4613600 | 0.78 | TAAR1 (0.37) | ALDH1A1TAAR1CYP3A4KDM4EMAPT | |
| SCHEMBL6217138 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TAAR1HDAC3HDAC1HDAC2 | |
| SCHEMBL9630715 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TAAR1HTR1DCYP1A2CYP2A6 | |
| SCHEMBL10061644 | 0.75 | P2RX7 (0.44) | TAAR1CYP3A4KDM4EKMT2ASLC6A2 | |
| SCHEMBL14613959 | 0.75 | ACHE (0.44) | ALDH1A1TAAR1CYP3A4KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | disclosed |