Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | ADA | P00813 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7967089 | 0.90 | TUBB4A (0.39) | HRH3MAPK1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL7962994 | 0.87 | DRD2 (0.38) | DRD3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7963097 | 0.87 | HRH3 (0.36) | HRH3KDM4EPOLB | |
| Malonic Acid SCHEMBL7953257 | 0.85 | TP53 (0.36) | DRD3CYP3A4CYP2C9CYP2C19CYP1A2 | |
| Acrylic Acid SCHEMBL7963757 | 0.85 | ALDH1A1 (0.38) | DRD3MAPK1POLBSMN1; SMN2MAPT | |
| SCHEMBL7965451 | 0.80 | SMN1; SMN2 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7965338 | 0.80 | OPRM1 (0.31) | DRD3 | |
| SCHEMBL7200716 | 0.79 | KDM4E (0.38) | HRH3ADADRD3TDP1KDM4E | |
| SCHEMBL7965737 | 0.79 | HTR1A (0.41) | DRD3SLC6A4 | |
| SCHEMBL7965454 | 0.78 | OPRL1 (0.36) | HRH3HRH1DRD3CYP3A4CYP2C9 |
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-6242450-B1 | SUBSTITUTED PIPERIDINES | ELI LILLY AND COMPANY | 2001-06-05 | — | — | US | disclosed |
| WO-2000006166-A1 | 5-HT1F ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |
| EP-0976746-A1 | 5-HT1F antagonists | ELI LILLY AND COMPANY (US) | 2000-02-02 | — | — | EP | disclosed |