Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8776566 | 0.91 | S1PR1 (0.49) | S1PR1PPARASLC6A2SLC6A4HTR2A | |
| SCHEMBL9747402 | 0.91 | S1PR1 (0.49) | S1PR1PPARASLC6A2SLC6A4HTR2A | |
| SCHEMBL15312357 | 0.89 | S1PR1 (0.48) | S1PR1PPARASLC6A2SLC6A4HTR2A | |
| SCHEMBL28830783 | 0.89 | S1PR1 (0.47) | S1PR1SLC6A2SLC6A4HTR2AHTR2C | |
| SCHEMBL7122292 | 0.87 | S1PR1 (0.46) | S1PR1SLC6A2SLC6A4HTR2AHTR2C | |
| SCHEMBL19996369 | 0.85 | SLC6A2 (0.50) | S1PR1PPARASLC6A2SLC6A4HTR2A | |
| SCHEMBL9746555 | 0.84 | MLNR (0.51) | S1PR1HTR2AHTR2CDRD2CYP3A4 | |
| SCHEMBL23472586 | 0.82 | MLNR (0.50) | S1PR1HTR2AHTR2CDRD2CYP3A4 | |
| SCHEMBL566352 | 0.78 | MLNR (0.61) | S1PR1SLC6A2SLC6A4HTR2AHTR2C | |
| SCHEMBL28665706 | 0.78 | NPC1 (0.41) | PPARAADRA2AALDH1A1MLNR |
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-3237905-A1 | METHOD FOR DETERMINING PROPERTIES OF PETROLEUM FRACTIONS AND REFINING METHODS FOR OPTIMISING PETROLEUM REFINERIES | P Plus I (FR) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102883-A1 | METHOD FOR DETERMINING PROPERTIES OF PETROLEUM FRACTIONS AND REFINING METHODS FOR OPTIMISING PETROLEUM REFINERIES | P PLUS I (FR) | 2016-06-30 | — | — | WO | disclosed |