Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391124 | 0.91 | GAA (0.48) | GAANPC1RAB9AHSD17B10TP53 | |
| SCHEMBL3390647 | 0.85 | HSD17B10 (0.44) | GAANPC1RAB9AHSD17B10TP53 | |
| SCHEMBL3388564 | 0.74 | P2RX7 (0.40) | GAANPC1RAB9ATP53POLB | |
| SCHEMBL3386893 | 0.72 | CNR2 (0.42) | TP53KMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL12787291 | 0.71 | HSD17B10 (0.48) | RAB9AHSD17B10TP53ALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL3389831 | 0.69 | ALDH1A1 (0.46) | NPC1RAB9AHSD17B10TP53ALDH1A1 | |
| SCHEMBL4125057 | 0.66 | ALDH1A1 (0.47) | GAARAB9APOLBKMT2AALDH1A1 | |
| SCHEMBL12441442 | 0.66 | WDR5 (0.51) | GAANPC1RAB9APOLBKMT2A | |
| SCHEMBL18765244 | 0.66 | GAA (0.57) | GAANPC1RAB9AHSD17B10TP53 | |
| SCHEMBL31098583 | 0.66 | GAA (0.57) | GAANPC1RAB9AHSD17B10TP53 |
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-2166002-A1 | Chiral organic catalysts for the enantioselective reduction of n-alkyl and n-benzyl-substituted alicyclic and cyclic imines | UNIVERSITA'DEGLI STUDI DI MILANO (IT) | 2010-03-24 | — | — | EP | disclosed |
| EP-2166002-A1 | Chiral organic catalysts for the enantioselective reduction of n-alkyl and n-benzyl-substituted alicyclic and cyclic imines | UNIVERSITA'DEGLI STUDI DI MILANO (IT) | 2010-03-24 | — | — | EP | disclosed |