Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17544325 | 0.84 | HDAC3 (0.39) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL20681015 | 0.84 | CA2 (0.50) | SMN1; SMN2 | |
| SCHEMBL2229917 | 0.82 | MTOR (0.48) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL23448763 | 0.81 | HRH3 (0.44) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL21962676 | 0.80 | HTR2C (0.37) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL1109896 | 0.80 | HTR2C (0.37) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL25546128 | 0.79 | HSP90AA1 (0.43) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL1935308 | 0.79 | PPARG (0.46) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL18664587 | 0.78 | MTOR (0.44) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL7430459 | 0.78 | RIPK1 (0.59) | HTR2CSLC6A4RIPK1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015050989-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | CS THERAPEUTICS INC. (US) | 2015-04-09 | — | — | WO | disclosed |