Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL31320807 | 1.00 | HTR2A (0.37) | HTR2AHTR2CHTR2BBRD4OPRM1 | |
| SCHEMBL4489540 | 0.75 | GAA (0.48) | KMT2AMEN1TP53MAPTLMNA | |
| SCHEMBL23063003 | 0.66 | BRD4 (0.42) | HTR2AHTR2CHTR2BBRD4CA1 | |
| SCHEMBL21317798 | 0.65 | HTR2A (0.39) | HTR2AHTR2CHTR2BCA1CA2 | |
| SCHEMBL17785902 | 0.64 | HTR2A (0.53) | HTR2AHTR2CHTR2BBRD4OPRM1 | |
| SCHEMBL18074646 | 0.64 | HTR2A (0.38) | HTR2AHTR2CHTR2BBRD4CA1 | |
| SCHEMBL19216168 | 0.63 | OPRM1 (0.36) | HTR2AHTR2CHTR2BOPRM1OPRD1 | |
| SCHEMBL18100258 | 0.63 | OPRM1 (0.45) | HTR2AHTR2CHTR2BBRD4OPRM1 | |
| SCHEMBL3519770 | 0.63 | PGR (0.53) | BRD4TP53MAPTPOLBPGR | |
| SCHEMBL29891547 | 0.63 | PGR (0.53) | BRD4TP53MAPTPOLBPGR |
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-112424198-A | Thiadiazine derivatives | 吉瑞工厂 | 2021-02-26 | — | — | CN | disclosed |