Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29570949 | 0.83 | SIRT3 (0.58) | ALDH1A1TSHRTDP1SIRT3NPC1 | |
| SCHEMBL907851 | 0.83 | SIRT3 (0.58) | ALDH1A1TSHRTDP1SIRT3NPC1 | |
| Ethane SCHEMBL28930003 | 0.82 | SIRT3 (0.56) | ALDH1A1TSHRTDP1SIRT3NPC1 | |
| SCHEMBL27349113 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1ADRB2ADRB1 | |
| SCHEMBL9260863 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1MAPTKDM4E | |
| Iodomethane SCHEMBL10841815 | 0.81 | SIRT3 (0.54) | ALDH1A1TSHRTDP1SIRT3NPC1 | |
| SCHEMBL4591568 | 0.78 | TDP1 (0.65) | ALDH1A1TDP1SIRT3MAPTKDM4E | |
| SCHEMBL27977119 | 0.77 | TDP1 (0.50) | ALDH1A1TSHRTDP1SIRT3MAPT | |
| SCHEMBL27703244 | 0.77 | L3MBTL1 (0.58) | ALDH1A1TSHRTDP1SIRT3MAPT | |
| SCHEMBL6057357 | 0.77 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1ADRB2ADRB1 |
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-2079690-A2 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008038251-A2 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-04-03 | — | — | WO | disclosed |