Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 9/20 | 0.39 |
| ▸ | BCHE | P06276 | 7/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL27995127 | 0.83 | ACHE (0.49) | ESR1ACHEBCHEGRIN1GRIN2A | |
| SCHEMBL28048966 | 0.80 | BACE1 (0.38) | KMT2ABACE1KDM4E | |
| SCHEMBL27995320 | 0.70 | ACHE (0.50) | ACHEBCHEGRIN1GRIN2ACYP1A2 | |
| SCHEMBL11319351 | 0.66 | ESR1 (0.43) | ESR1ACHECYP1A2ALDH1A1NPC1 | |
| SCHEMBL15309502 | 0.63 | IL1RN (0.32) | KMT2A | |
| SCHEMBL29660577 | 0.63 | CYP1A2 (0.65) | ACHECYP1A2ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL9755328 | 0.63 | CYP1A2 (0.65) | ACHECYP1A2ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL27844093 | 0.62 | ANPEP (0.46) | ALDH1A1KMT2AHSD17B10GAAPOLB | |
| SCHEMBL22509942 | 0.61 | NCK1 (0.43) | ESR1CYP1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL10286621 | 0.59 | ALDH1A1 (0.43) | ESR1ACHEBCHEGRIN1GRIN2A |
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-103477224-B | Blood collection device containing lysophospholipase inhibitor | BECTON, DICKINSON AND CO. (US) | 2015-12-23 | — | — | CN | disclosed |