Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.50 |
| ▸ | HRH1 | P35367 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11865510 | 0.87 | HTR2A (0.39) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11859798 | 0.87 | KDM4E (0.39) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11857247 | 0.83 | HTR2A (0.38) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11863543 | 0.83 | P2RX4 (0.37) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11868591 | 0.83 | HTR2A (0.37) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11869992 | 0.82 | HTR2A (0.36) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL1509217 | 0.81 | HTR2A (0.47) | HTR2AHRH1KMT2AADH1BADH1C | |
| SCHEMBL11868581 | 0.80 | TACR1 (0.36) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11861536 | 0.79 | TSHR (0.38) | HTR2AHRH1CYP2D6KDM4ELMNA | |
| SCHEMBL11857446 | 0.75 | HTR2A (0.62) | HTR2AHRH1CYP2D6KDM4ELMNA |
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-3992445-A | ANTICONVULSANTS | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | claimed |
| US-3992445-A | ANTICONVULSANTS | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3992445-A | ANTICONVULSANTS | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | disclosed |