Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14926951 | 0.79 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HTTTP53HPGD | |
| SCHEMBL14924323 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HTTTP53HPGD | |
| SCHEMBL22074117 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HSD17B10HTTHPGDSMN1; SMN2 | |
| SCHEMBL12177873 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDPRKDCSMN1; SMN2 | |
| SCHEMBL1393045 | 0.67 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HTTTP53HPGD | |
| SCHEMBL24419828 | 0.63 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HTTHPGDSMN1; SMN2 | |
| SCHEMBL15318300 | 0.63 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HTTHPGDSMN1; SMN2 | |
| SCHEMBL25050079 | 0.63 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HTTHPGDSMN1; SMN2 | |
| SCHEMBL1392905 | 0.62 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HTTTP53HPGD | |
| SCHEMBL19965740 | 0.59 | BPTF (0.33) | ALDH1A1HSD17B10HPGDRAB9AALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067277-A1 | ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | GENENTECH, INC. (US) | 2013-05-10 | — | — | WO | disclosed |