Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | FOS | P01100 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 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 | |
|---|---|---|---|---|
| SCHEMBL18586924 | 1.00 | S1PR1 (0.39) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18550451 | 0.92 | S1PR1 (0.43) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18587297 | 0.91 | KCNJ1 (0.39) | S1PR1S1PR3S1PR5KCNJ1KCNH2 | |
| SCHEMBL18550176 | 0.90 | S1PR5 (0.41) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18550177 | 0.90 | S1PR5 (0.41) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18550284 | 0.90 | S1PR5 (0.52) | S1PR1S1PR3S1PR5HSP90AB1MAPT | |
| SCHEMBL18549879 | 0.88 | KCNJ1 (0.39) | S1PR1S1PR3S1PR5KCNJ1KCNH2 | |
| SCHEMBL18550224 | 0.86 | S1PR1 (0.39) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18550080 | 0.85 | S1PR1 (0.41) | S1PR1S1PR3S1PR5KCNJ1HSP90AB1 | |
| SCHEMBL18550151 | 0.85 | S1PR5 (0.41) | S1PR1S1PR3S1PR5KCNJ1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3341369-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | AbbVie Inc. (US) | 2018-07-04 | — | — | EP | disclosed |
| WO-2017036978-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | ABBVIE INC. (US) | 2017-03-09 | — | — | WO | disclosed |