Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Tt-301. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1D | P48730 | 3/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.59 |
| ▸ | SLC6A7 | Q99884 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tt-301 SCHEMBL529969 | 0.99 | CSNK1D (0.60) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL1753099 | 0.99 | CSNK1D (0.60) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| Tt-301 SCHEMBL9998818 | 0.97 | CSNK1D (0.59) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| Tt-301 SCHEMBL300506 | 0.97 | CSNK1D (0.59) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL720267 | 0.93 | SLC6A7 (0.56) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL29572108 | 0.93 | SLC6A7 (0.56) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL1753146 | 0.86 | CSNK1D (0.46) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL1753062 | 0.86 | SLC6A7 (0.49) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL5005886 | 0.86 | DRD2 (0.49) | CSNK1DMAPK14SLC6A7MAPTLMNA | |
| SCHEMBL14679251 | 0.86 | LMNA (0.56) | CSNK1DMAPK14SLC6A7MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012890-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF ARTHRITIS | WARATAH PHARMACEUTICALS INC. (CA) | 2012-02-02 | — | — | WO | claimed |
| WO-2012012890-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF ARTHRITIS | WARATAH PHARMACEUTICALS INC. (CA) | 2012-02-02 | — | — | WO | disclosed |
| WO-2011156900-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS | WARATAH PHARMACEUTICALS INC. (CA) | 2011-12-22 | — | — | WO | disclosed |