Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11073803 | 0.81 | TSHR (0.51) | SMN1; SMN2POLBLMNAMAPTRAB9A | |
| SCHEMBL8259131 | 0.78 | SMN1; SMN2 (0.50) | SMN1; SMN2POLBLMNAMAPTNPC1 | |
| SCHEMBL797983 | 0.77 | USP2 (0.55) | SMN1; SMN2LMNAMAPTALDH1A1KMT2A | |
| SCHEMBL11077865 | 0.77 | TSHR (0.56) | SMN1; SMN2POLBLMNAMAPTALDH1A1 | |
| SCHEMBL533646 | 0.77 | POLB (0.97) | SMN1; SMN2POLBLMNAMAPTNPC1 | |
| SCHEMBL11082543 | 0.76 | MAPT (0.42) | SMN1; SMN2POLBLMNAMAPTALDH1A1 | |
| SCHEMBL3771855 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2POLBLMNAMAPTALDH1A1 | |
| SCHEMBL11556626 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2POLBLMNAMAPTNPC1 | |
| SCHEMBL6270709 | 0.75 | SMN1; SMN2 (0.51) | SMN1; SMN2POLBLMNAMAPTNPC1 | |
| SCHEMBL19880920 | 0.74 | SMN1; SMN2 (0.47) | SMN1; SMN2POLBLMNAMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2334676-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | Allergan, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |