Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.68 |
| ▸ | S1PR3 | Q99500 | 16/20 | 0.68 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4612183 | 1.00 | S1PR1 (0.68) | S1PR1S1PR3S1PR4S1PR5NPC1 | |
| SCHEMBL14263343 | 0.94 | S1PR1 (0.75) | S1PR1S1PR3S1PR4S1PR5NPC1 | |
| Trifluoroacetic Acid SCHEMBL4983673 | 0.86 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5KMT2A | |
| Trifluoroacetic Acid SCHEMBL4613224 | 0.85 | S1PR1 (0.68) | S1PR1S1PR3S1PR4S1PR5KMT2A | |
| SCHEMBL5171208 | 0.84 | S1PR1 (0.71) | S1PR1S1PR3S1PR4S1PR5NPC1 | |
| Trifluoroacetic Acid SCHEMBL4630217 | 0.82 | S1PR1 (0.67) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL4763404 | 0.82 | S1PR1 (0.65) | S1PR1S1PR3S1PR4S1PR5NPC1 | |
| SCHEMBL4981055 | 0.81 | S1PR1 (1.00) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL4981066 | 0.81 | S1PR1 (1.00) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL14263257 | 0.80 | S1PR1 (0.74) | S1PR1S1PR3S1PR4S1PR5KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101018761-A | Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity | PRAECIS PHARM INC (US) | 2007-08-15 | — | — | CN | disclosed |