Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 10/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18657304 | 0.85 | SIGMAR1 (0.60) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| SCHEMBL325591 | 0.85 | S1PR5 (0.50) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| SCHEMBL325502 | 0.85 | SIGMAR1 (0.58) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| SCHEMBL1587952 | 0.84 | SIGMAR1 (0.57) | S1PR5SIGMAR1TP53CYP1A2CYP3A4 | |
| SCHEMBL21138410 | 0.84 | S1PR5 (0.52) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| SCHEMBL15144639 | 0.83 | SIGMAR1 (0.60) | S1PR5S1PR1S1PR3SIGMAR1 | |
| SCHEMBL21138409 | 0.82 | IDO1 (0.51) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| SCHEMBL21138412 | 0.82 | S1PR5 (0.52) | S1PR5S1PR1S1PR3SIGMAR1TP53 | |
| Hydrochloric Acid SCHEMBL325492 | 0.82 | SIGMAR1 (0.60) | S1PR5S1PR1S1PR3SIGMAR1 | |
| SCHEMBL10264811 | 0.81 | S1PR5 (0.74) | S1PR5S1PR1S1PR3 |
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-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |