Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | GPR183 | P32249 | 1/20 | 0.52 |
| ▸ | APLNR | P35414 | 1/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8033845 | 0.84 | ATM (0.56) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8035613 | 0.83 | S1PR1 (0.54) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8037361 | 0.82 | S1PR1 (0.48) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8037447 | 0.81 | S1PR1 (0.41) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8037438 | 0.80 | S1PR1 (0.45) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8037366 | 0.80 | S1PR1 (0.41) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8036048 | 0.80 | KDM1A (0.43) | S1PR1NPSR1MAPTTP53RAB9A | |
| SCHEMBL8035722 | 0.78 | RAB9A (0.52) | S1PR1MAPTTP53NPC1RAB9A | |
| SCHEMBL8037415 | 0.78 | S1PR1 (0.41) | S1PR1ADRB2GPR183APLNRS1PR5 | |
| SCHEMBL8040252 | 0.78 | ALDH1A1 (0.41) | S1PR1MAPTKDM4EALDH1A1LMNA |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |