Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | POLQ | O75417 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028301 | 0.85 | APP (0.39) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8035717 | 0.84 | ALDH1A1 (0.45) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8041684 | 0.83 | SMPD1 (0.44) | KDM4EHPGDRXFP1MEN1KMT2A | |
| SCHEMBL8022424 | 0.81 | LMNA (0.42) | KDM4ELMNACYP3A4MAPTHPGD | |
| SCHEMBL8037833 | 0.80 | SMO (0.39) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8040180 | 0.80 | S1PR1 (0.58) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8038215 | 0.79 | S1PR1 (0.40) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8041698 | 0.79 | CYP1A2 (0.41) | S1PR1KDM4ELMNACYP3A4MAPT | |
| SCHEMBL8041701 | 0.79 | APP (0.38) | S1PR1LMNAMAPTGAAAPP | |
| SCHEMBL8033842 | 0.77 | RAB9A (0.42) | S1PR1CYP3A4MAPTHPGDMEN1 |
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 |