Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | HTR2B | P41595 | 3/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29664773 | 0.80 | HTR2B (0.65) | HTR2CHTR2BHTR2AGID4MAOA | |
| SCHEMBL1010321 | 0.80 | HTR2B (0.65) | HTR2CHTR2BHTR2AGID4MAOA | |
| SCHEMBL21470620 | 0.80 | HTR2B (0.65) | HTR2CHTR2BHTR2AGID4MAOA | |
| SCHEMBL19752839 | 0.78 | HTR2C (0.59) | HTR2CHTR2BHTR2AGID4KDM1A | |
| SCHEMBL32684319 | 0.77 | HTR2C (0.57) | HTR2CHTR2BHTR2AGID4KDM1A | |
| SCHEMBL2364169 | 0.75 | GID4 (0.69) | HTR2CHTR2BHTR2AGID4KDM1A | |
| SCHEMBL30495921 | 0.75 | HTR2C (0.55) | HTR2CHTR2BHTR2AGID4KDM1A | |
| SCHEMBL11849339 | 0.74 | PRCP (0.56) | HTR2CHTR2BHTR2AGID4GAA | |
| SCHEMBL10513341 | 0.74 | HTR2C (0.54) | HTR2CHTR2BHTR2AGID4KDM1A | |
| SCHEMBL5484314 | 0.73 | ACHE (0.60) | HTR2CHTR2BHTR2AKDM1AMTNR1A |
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-113264978-A | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity, preparation and application thereof | 重庆医科大学 | 2021-08-17 | — | — | CN | disclosed |