Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | KRAS | P01116 | 2/20 | 0.42 |
| ▸ | ACLY | P53396 | 2/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL27524962 | 1.00 | HTR2A (0.46) | HTR2AHTR2CKRASACLYOXER1 | |
| SCHEMBL7997832 | 0.91 | KMO (0.48) | HTR2AHTR2CACLYOXER1KMO | |
| SCHEMBL27342171 | 0.87 | HTR2C (0.45) | HTR2AHTR2CHDAC3HDAC1HDAC2 | |
| SCHEMBL8959547 | 0.87 | HTR2C (0.45) | HTR2AHTR2CHDAC3HDAC1HDAC2 | |
| SCHEMBL8959678 | 0.86 | HTR2C (0.46) | HTR2AHTR2CHDAC3HDAC1HDAC2 | |
| SCHEMBL27340857 | 0.86 | HTR2A (0.46) | HTR2AHTR2CKRASHDAC3HDAC1 | |
| SCHEMBL8959479 | 0.86 | HTR2C (0.46) | HTR2AHTR2CHDAC3HDAC1HDAC2 | |
| SCHEMBL8959618 | 0.86 | HTR2A (0.46) | HTR2AHTR2CKRASHDAC3HDAC1 | |
| SCHEMBL8959561 | 0.83 | HTR2A (0.49) | HTR2AHTR2CKRASKMOHDAC1 | |
| SCHEMBL8959864 | 0.83 | HTR2A (0.49) | HTR2AHTR2CKRASKMOHDAC1 |
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-5494928-A | FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |