Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.68 |
| ▸ | HTR1D | P28221 | 1/20 | 0.68 |
| ▸ | HTR2B | P41595 | 1/20 | 0.68 |
| ▸ | DRD4 | P21917 | 7/20 | 0.52 |
| ▸ | DRD2 | P14416 | 5/20 | 0.52 |
| ▸ | DRD3 | P35462 | 3/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL8995895 | 0.87 | HTR1A (0.73) | HTR1AHTR1DHTR2BKCNQ2ALDH1A1 | |
| SCHEMBL8995908 | 0.82 | HTR1A (0.64) | HTR1AHTR1DHTR2BDRD2ALDH1A1 | |
| SCHEMBL6546383 | 0.81 | HTR1A (1.00) | HTR1AHTR1DHTR2BDRD2ALDH1A1 | |
| SCHEMBL8065712 | 0.81 | HTR1A (1.00) | HTR1AHTR1DHTR2BDRD2ALDH1A1 | |
| SCHEMBL8995910 | 0.81 | HTR1A (0.64) | HTR1AHTR1DHTR2BDRD4DRD2 | |
| SCHEMBL11106061 | 0.77 | IGF1R (0.55) | DRD4DRD2DRD3OPRM1ALDH1A1 | |
| SCHEMBL8995919 | 0.77 | NPC1 (0.49) | HTR1AHTR1DHTR2BOPRM1KCNQ2 | |
| SCHEMBL17206662 | 0.76 | KCNQ2 (0.50) | HTR1AHTR1DHTR2BOPRM1KCNQ2 | |
| SCHEMBL8654532 | 0.75 | HTR1A (0.64) | HTR1AHTR1DHTR2BDRD4DRD2 | |
| SCHEMBL8878656 | 0.74 | HTR1A (0.63) | HTR1AHTR1DHTR2BDRD4DRD2 |
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-5541179-A | Tropon-2-one piperazine carboxamides as serotonergic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |