Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11747815 | 0.81 | MAPT (0.42) | MAPTPTGDR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1714577 | 0.81 | CYP4F2 (0.41) | PTGDR2NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL6768985 | 0.76 | KDM4E (0.51) | MAPTSMN1; SMN2HPGDGAANPSR1 | |
| SCHEMBL13455068 | 0.74 | PTGDR2 (0.59) | MAPTPTGDR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1742531 | 0.73 | PDE4A (0.50) | MAPTNPC1RAB9ATTRALDH1A1 | |
| SCHEMBL9975472 | 0.72 | MAPT (0.49) | MAPTNPC1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL4095540 | 0.71 | HRH3 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL15869801 | 0.70 | CNR2 (0.35) | MAPTPTGDR2HPGDALDH1A1FFAR4 | |
| SCHEMBL2473937 | 0.70 | HTR1B (0.41) | SMN1; SMN2TTRKDM4EMAPK1 | |
| SCHEMBL12727545 | 0.70 | MAPT (0.37) | MAPTPTGDR2NPC1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5854263-A | 1- (1,4-benzodioxanyl)alkyl!-3-(heteroaryl) pyrrolidines and related compounds and their therapeutic utility | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-29 | — | — | US | disclosed |