Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15758316 | 0.77 | NUDT1 (0.51) | ALDH1A1HSD17B10TSHRLMNACYP3A4 | |
| SCHEMBL13133330 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL13133331 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL28182000 | 0.75 | TSHR (0.48) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL8599944 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL8405883 | 0.74 | TSHR (0.66) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL7080700 | 0.74 | KDM4E (0.42) | ALDH1A1TSHRL3MBTL1TDP1LMNA | |
| SCHEMBL9509719 | 0.74 | LMNA (0.48) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL18159123 | 0.74 | KDM4E (0.60) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL2595579 | 0.73 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1226888-A | Fluorinated 1,4-disubstituted piperidine derivatives | BANYU PHARMA CO LTD (JP) | 1999-08-25 | — | — | CN | disclosed |