Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 14/20 | 0.65 |
| ▸ | S1PR3 | Q99500 | 9/20 | 0.65 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL1812757 | 0.86 | S1PR1 (0.62) | S1PR1S1PR3NOTUMPTPRBCYP3A4 | |
| SCHEMBL1813698 | 0.86 | S1PR1 (0.64) | S1PR1S1PR3NOTUMPTPRBCYP3A4 | |
| SCHEMBL1811414 | 0.79 | S1PR1 (1.00) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL12000617 | 0.75 | S1PR1 (0.48) | S1PR1S1PR3NOTUMCYP1A2CYP2D6 | |
| SCHEMBL12000616 | 0.75 | S1PR1 (0.46) | S1PR1S1PR3NOTUMCYP1A2CYP2D6 | |
| SCHEMBL13271330 | 0.72 | NOTUM (0.47) | S1PR1S1PR3NOTUM | |
| SCHEMBL18946083 | 0.71 | NOTUM (0.48) | S1PR1S1PR3NOTUMCYP3A4KCNH2 | |
| SCHEMBL21370002 | 0.70 | S1PR1 (0.64) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL21369985 | 0.70 | S1PR1 (0.61) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL12000615 | 0.69 | S1PR1 (0.79) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2592071-B1 | Tricyclic heterocyclic compounds | BRISTOL MYERS SQUIBB CO (US) | 2019-09-18 | — | — | EP | disclosed |