Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CFD | P00746 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 4/20 | 0.38 |
| ▸ | BCR | P11274 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17039237 | 0.91 | CFD (0.50) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL17024755 | 0.86 | CFD (0.42) | CFDEP300 | |
| SCHEMBL29544847 | 0.82 | CFD (0.56) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL17023850 | 0.82 | CFD (0.56) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL17023818 | 0.82 | CFD (0.56) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL29545064 | 0.82 | CFD (0.56) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL17031920 | 0.81 | CFD (0.47) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL28712328 | 0.80 | CFD (0.45) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL18591433 | 0.79 | CFD (0.47) | CYP1A2POLBCYP3A4CYP2C19CFD | |
| SCHEMBL17031916 | 0.77 | CFD (0.50) | CYP1A2POLBCYP3A4CYP2C19CFD |
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-2017035360-A1 | COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-02 | — | — | WO | disclosed |