Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.51 |
| ▸ | HTR7 | P34969 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL11602997 | 0.99 | HTR1A (0.50) | HTR1AHTR7HDAC3HDAC1DRD4 | |
| SCHEMBL11446752 | 0.93 | HTR1A (0.54) | HTR1AHTR7HDAC3HDAC1 | |
| SCHEMBL11605140 | 0.90 | HTR1A (0.49) | HTR1AHTR7HDAC3HDAC1DRD4 | |
| SCHEMBL11465718 | 0.88 | HTR1A (0.51) | HTR1AHTR7DRD4DRD2 | |
| SCHEMBL11447503 | 0.88 | HTR1A (0.51) | HTR1AHTR7DRD4DRD2CYP2D6 | |
| SCHEMBL11446726 | 0.87 | HTR1A (0.53) | HTR1AHTR7DRD4DRD2ALDH1A1 | |
| SCHEMBL11602992 | 0.85 | HTR1A (0.49) | HTR1AHTR7DRD4DRD2 | |
| SCHEMBL6933580 | 0.84 | HTR1A (0.71) | HTR1AHTR7DRD4DRD2 | |
| SCHEMBL11448262 | 0.84 | HTR1A (0.58) | HTR1AHTR7DRD2 | |
| SCHEMBL11447026 | 0.83 | HTR7 (0.49) | HTR1AHTR7KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4205173-A | 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof | PENNWALT CORPORATION (US) | 1980-05-27 | — | — | US | disclosed |
| US-4085107-A | ANALGESICS | PENNWALT CORPORATION (US) | 1978-04-18 | — | — | US | disclosed |
| US-4060526-A | 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof | PENNWALT CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |