Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 13/20 | 0.38 |
| ▸ | HTR2A | P28223 | 13/20 | 0.38 |
| ▸ | DRD3 | P35462 | 13/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8704542 | 0.88 | ALDH1A1 (0.53) | ALDH1A1DRD2HTR2ADRD3EPHX2 | |
| SCHEMBL8548755 | 0.86 | CA2 (0.43) | ALDH1A1DRD2HTR2ADRD3EPHX2 | |
| SCHEMBL8550771 | 0.82 | ALDH1A1 (0.40) | ALDH1A1DRD2EPHX2SMN1; SMN2MEN1 | |
| SCHEMBL7486039 | 0.82 | HTR1D (0.53) | DRD2 | |
| SCHEMBL8552088 | 0.81 | DRD2 (0.39) | ALDH1A1DRD2HTR2ADRD3EPHX2 | |
| SCHEMBL8710319 | 0.79 | DRD2 (0.34) | DRD2HTR2ADRD3 | |
| Hydrochloric Acid SCHEMBL8549247 | 0.76 | TP53 (0.46) | DRD2HTR2ADRD3MAPTTP53 | |
| SCHEMBL8548758 | 0.76 | DRD2 (0.40) | ALDH1A1DRD2HTR2ADRD3TP53 | |
| SCHEMBL8710324 | 0.74 | ALDH1A1 (0.43) | ALDH1A1DRD2HTR2ADRD3 | |
| SCHEMBL8546763 | 0.73 | HTR1D (0.45) | DRD2HTR2ADRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |