Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | KRAS | P01116 | 2/20 | 0.51 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 2/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27591506 | 0.87 | HTR2A (0.58) | HTR2AHTR2CKRASOXER1NPY5R | |
| SCHEMBL9702533 | 0.85 | KMT2A (0.60) | HTR2AHTR2CKRASOXER1NPY5R | |
| SCHEMBL13980991 | 0.84 | KMO (0.58) | HTR2AHTR2CKRASOXER1KMO | |
| SCHEMBL2006946 | 0.84 | HTR2A (0.55) | HTR2AHTR2CKRASOXER1NPY5R | |
| SCHEMBL16234644 | 0.82 | HTR2A (0.54) | HTR2AHTR2CHDAC3HDAC1HDAC2 | |
| SCHEMBL20037218 | 0.81 | TDP1 (0.53) | HTR2AHTR2CKRASNPY5RKMT2A | |
| SCHEMBL16234651 | 0.81 | HTR2C (0.55) | HTR2AHTR2CNPY5RHDAC3HDAC1 | |
| SCHEMBL13139586 | 0.81 | NTSR1 (0.57) | HTR2AHTR2CKMT2ANTSR1 | |
| SCHEMBL15921713 | 0.79 | PLA2G4A (0.55) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL6726048 | 0.78 | HTR2A (0.63) | HTR2AHTR2CKRASOXER1KMO |
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-5132319-A | Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1992-07-21 | — | — | US | disclosed |