Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634117 | 1.00 | IDO1 (0.44) | IDO1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8633331 | 0.84 | MGMT (0.40) | CYP2D6DHFR | |
| SCHEMBL8630922 | 0.74 | IDO1 (0.45) | IDO1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8990302 | 0.74 | EGFR (0.39) | MAOB | |
| SCHEMBL8990299 | 0.74 | EGFR (0.39) | MAOB | |
| SCHEMBL4377734 | 0.70 | IDO1 (0.50) | IDO1MAOB | |
| SCHEMBL8633053 | 0.70 | HTR2C (0.37) | MAOB | |
| Hydrochloric Acid SCHEMBL4388271 | 0.69 | IDO1 (0.51) | IDO1MAOB | |
| SCHEMBL4384916 | 0.66 | MAOB (0.46) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4410979 | 0.65 | MEN1 (0.48) | IDO1CYP2C19MAOB |
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 |