Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL13223489 | 0.84 | PDPK1 (0.50) | PDPK1 | |
| SCHEMBL8253156 | 0.77 | PDPK1 (0.55) | PDPK1 | |
| SCHEMBL16421257 | 0.77 | PDPK1 (0.55) | PDPK1 | |
| SCHEMBL30130746 | 0.76 | HTR2C (0.40) | TAS1R3TAS1R1TAS1R2PDPK1 | |
| SCHEMBL4972049 | 0.76 | HTR2C (0.40) | TAS1R3TAS1R1TAS1R2PDPK1 | |
| SCHEMBL1600934 | 0.73 | PDPK1 (0.59) | TAS1R3TAS1R1TAS1R2PDPK1 | |
| SCHEMBL2461645 | 0.73 | PDPK1 (0.59) | TAS1R3TAS1R1TAS1R2PDPK1 | |
| SCHEMBL598847 | 0.73 | PDPK1 (0.59) | TAS1R3TAS1R1TAS1R2PDPK1 | |
| SCHEMBL7508307 | 0.70 | KMT2A (0.45) | KMT2A | |
| SCHEMBL3532080 | 0.70 | HTT (0.55) | TAS1R3TAS1R1TAS1R2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007143267-A2 | TREATMENT OF PAIN DISORDERS WITH TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND ITS FORMAMIDE | SEPRACOR INC. (US) | 2007-12-13 | — | — | WO | disclosed |
| WO-2007006003-A2 | COMBINATIONS OF ESZOPICLONE AND TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPTHALENAMINE OR TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE, AND METHODS OF TREATMENT OF MENOPAUSE AND MOOD, ANXIETY, AND COGNITIVE DISORDERS | SEPRACOR INC. (US) | 2007-01-11 | — | — | WO | disclosed |