Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16840720 | 0.82 | KDM4E (0.50) | NOS3NOS2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17812892 | 0.79 | NOS3 (0.54) | NOS3NOS2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12579013 | 0.79 | HSD17B10 (0.45) | KDM4EHSD17B10 | |
| SCHEMBL26777976 | 0.79 | NOS3 (0.38) | NOS3NOS2KDM4EHSD17B10NUDT1 | |
| SCHEMBL803483 | 0.73 | KDM4E (0.40) | NOS3NOS2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL4915813 | 0.73 | NOS3 (0.60) | NOS3NOS2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17306680 | 0.72 | CCNT1 (0.32) | — | |
| SCHEMBL17194984 | 0.71 | ATAD2 (0.49) | NPC1RAB9ALMNAKMT2A | |
| SCHEMBL2718887 | 0.70 | HSD17B10 (0.42) | NOS3NOS2KDM4EHSD17B10POLB | |
| SCHEMBL2719104 | 0.70 | HSD17B10 (0.34) | SMN1; SMN2KDM4EALOX15HSD17B10ALDH1A1 |
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-2024050433-A1 | ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2024-03-07 | — | — | WO | disclosed |
| WO-2023134228-A1 | NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2023-07-20 | — | — | WO | disclosed |