Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
| ▸ | TMPRSS2 | O15393 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL16961694 | 0.82 | ABHD6 (0.37) | NR1H2NOTUMAKR1C3NPC1TP53 | |
| SCHEMBL28534853 | 0.82 | ABHD6 (0.35) | NR1H2NOTUMAKR1C3NPC1TP53 | |
| SCHEMBL13739622 | 0.80 | NR1H2 (0.60) | NR1H2MAPTESR2KDM4E | |
| SCHEMBL16962869 | 0.78 | BPTF (0.41) | NR1H2SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL16111044 | 0.78 | AKR1C3 (0.51) | NOTUMAKR1C3NPC1TP53RAB9A | |
| SCHEMBL17607348 | 0.73 | RAC1 (0.38) | NOTUMNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL29150707 | 0.73 | ABHD6 (0.37) | NR1H2NOTUMNPC1TP53RAB9A | |
| SCHEMBL29372803 | 0.72 | NOTUM (0.33) | NOTUMNPC1TP53RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8384089 | 0.72 | KDM4E (0.45) | NOTUMNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL31447535 | 0.71 | ITGB2 (0.35) | NR1H2BTK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022022489-A1 | INDOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-02-03 | — | — | WO | disclosed |
| WO-2012154888-A1 | COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2012-11-15 | — | — | WO | disclosed |