Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.35 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13740912 | 0.82 | NR1H2 (0.35) | ABHD6ESR1ESR2NR1H2NOTUM | |
| SCHEMBL16961694 | 0.82 | ABHD6 (0.37) | ABHD6ESR1ESR2NR1H2NOTUM | |
| SCHEMBL20162141 | 0.82 | ABHD6 (0.42) | ABHD6ESR1ESR2NOTUMNPC1 | |
| SCHEMBL31067476 | 0.80 | NR1H2 (0.60) | ABHD6ESR2NR1H2MAPTALDH1A1 | |
| SCHEMBL4165540 | 0.80 | NR1H2 (0.60) | ABHD6ESR2NR1H2MAPTALDH1A1 | |
| SCHEMBL22981183 | 0.79 | KCNJ1 (0.37) | ABHD6ESR1ESR2NOTUMNPC1 | |
| SCHEMBL30597676 | 0.79 | ABHD6 (0.36) | ABHD6ESR1ESR2NOTUMNPC1 | |
| SCHEMBL16962869 | 0.78 | BPTF (0.41) | ABHD6NR1H2SMN1; SMN2MEN1MAPT | |
| SCHEMBL16111044 | 0.78 | AKR1C3 (0.51) | ABHD6NOTUMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27771947 | 0.77 | HTR5A (0.42) | NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307772-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-113307772-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-106257976-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-02-02 | — | — | CN | disclosed |