Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | PDE2A | O00408 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789260 | 0.86 | PDE2A (0.56) | TSHRPDE2ACES2KMODAO | |
| SCHEMBL8425257 | 0.84 | TSHR (0.65) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL5381489 | 0.83 | TSHR (0.58) | TSHRNOTUMIDO1HTR3EHTR3B | |
| SCHEMBL11599763 | 0.83 | PDE2A (0.57) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL4792259 | 0.81 | PDE2A (0.51) | PDE2ATDP1CES2NOTUMRAPGEF3 | |
| SCHEMBL11598716 | 0.78 | PDE2A (0.53) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL11600948 | 0.78 | TSHR (0.56) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL11600693 | 0.78 | PDE2A (0.57) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL11598957 | 0.78 | TSHR (0.56) | TSHRPDE2ACYP3A4MAPK1TDP1 | |
| SCHEMBL29129641 | 0.76 | PDE2A (0.41) | TSHRPDE2ACES2NOTUMRAPGEF3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4079089-A | CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |