Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL3391124 | 0.94 | GAA (0.48) | HSD17B10RAB9ANPC1TP53GAA | |
| SCHEMBL3390621 | 0.85 | GAA (0.41) | HSD17B10RAB9ANPC1TP53GAA | |
| SCHEMBL28472172 | 0.80 | WDR5 (0.42) | RAB9ANPC1TP53GAAKMT2A | |
| SCHEMBL3388564 | 0.77 | P2RX7 (0.40) | RAB9ANPC1TP53GAAKMT2A | |
| SCHEMBL3386893 | 0.75 | CNR2 (0.42) | TP53KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL31098583 | 0.71 | GAA (0.57) | HSD17B10RAB9ANPC1TP53GAA | |
| SCHEMBL28154646 | 0.70 | LMNA (0.51) | HSD17B10RAB9ANPC1TP53GAA | |
| SCHEMBL14507079 | 0.69 | KMT2A (0.58) | HSD17B10RAB9ANPC1TP53KMT2A | |
| SCHEMBL14743489 | 0.68 | GAA (0.41) | HSD17B10RAB9ANPC1TP53GAA | |
| SCHEMBL6316045 | 0.68 | TSHR (0.58) | HSD17B10RAB9ANPC1TP53KMT2A |
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 |