Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL10733433 | 0.78 | PDK2 (0.39) | AHRPDK2 | |
| SCHEMBL16043398 | 0.78 | HTR2C (0.33) | PDK2HTR2C | |
| SCHEMBL8634750 | 0.77 | — | — | |
| SCHEMBL8635146 | 0.72 | PDK2 (0.37) | PDK2 | |
| SCHEMBL20474800 | 0.68 | AHR (0.39) | AHRHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL9579668 | 0.66 | — | — | |
| SCHEMBL3545157 | 0.66 | AHR (0.31) | AHR | |
| SCHEMBL6264335 | 0.65 | AHR (0.45) | AHRHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL21902122 | 0.63 | — | — | |
| Ethane SCHEMBL28414050 | 0.63 | AHR (0.78) | AHRCYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5712281-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1998-01-27 | — | — | US | disclosed |
| US-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |