Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 7/20 | 0.33 |
| ▸ | DRD4 | P21917 | 7/20 | 0.33 |
| ▸ | DRD5 | P21918 | 7/20 | 0.33 |
| ▸ | DRD3 | P35462 | 7/20 | 0.33 |
| ▸ | HTR1A | P08908 | 6/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 6/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11660093 | 0.96 | DRD2 (0.33) | DRD1DRD4DRD5DRD3HTR1A | |
| SCHEMBL11390969 | 0.91 | HTR1A (0.37) | DRD1DRD4DRD5DRD3HTR1A | |
| SCHEMBL11440182 | 0.90 | DRD2 (0.38) | DRD1DRD4DRD5DRD3DRD2 | |
| SCHEMBL11789421 | 0.83 | DRD2 (0.30) | DRD1DRD4DRD5DRD3DRD2 | |
| SCHEMBL9355576 | 0.81 | SLC18A3 (0.31) | — | |
| SCHEMBL23047083 | 0.75 | — | — | |
| SCHEMBL4674255 | 0.75 | — | — | |
| SCHEMBL9664096 | 0.74 | — | — | |
| SCHEMBL9637964 | 0.72 | HTR1A (0.34) | DRD1DRD4DRD5DRD3HTR1A | |
| SCHEMBL8564164 | 0.72 | MGLL (0.43) | DRD4DRD3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0937045-B1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |
| US-5739338-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS | ALLERGAN (US) | 1998-04-14 | — | — | US | disclosed |
| US-4111929-A | POLYACRYLONITRILE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-09-05 | — | — | US | disclosed |