Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155960 | 0.87 | ALDH1A1 (0.35) | TP53CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL2156970 | 0.82 | LMNA (0.37) | RXFP1TP53CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2156194 | 0.77 | MEN1 (0.36) | MAPTRXFP1TP53CYP1A2CYP3A4 | |
| SCHEMBL2156975 | 0.76 | MEN1 (0.37) | MAPTRXFP1TP53CYP1A2CYP3A4 | |
| SCHEMBL2155996 | 0.74 | GAA (0.38) | MAPTCYP1A2CYP3A4CYP2C19GAA | |
| SCHEMBL2155647 | 0.69 | TAS2R14 (0.36) | CYP3A4GAANPSR1KMT2AHDAC6 | |
| SCHEMBL2156805 | 0.69 | MYC (0.34) | CYP3A4HTTGAANPSR1KMT2A | |
| SCHEMBL4437768 | 0.65 | MEN1 (0.54) | MAPTRXFP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2157148 | 0.65 | KDM4E (0.34) | TP53 | |
| SCHEMBL20357360 | 0.64 | MEN1 (0.44) | MAPTCYP1A2CYP3A4CYP2C19HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973072-B2 | Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example | GRUENENTHAL GMBH (DE) | 2011-07-05 | — | — | US | claimed |
| US-7973072-B2 | Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example | GRUENENTHAL GMBH (DE) | 2011-07-05 | — | — | US | disclosed |