Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399751 | 1.00 | CYP1A1 (0.54) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL27948287 | 0.81 | HTT (0.53) | CYP1A1CYP1A2CYP1B1CYP2D6NPSR1 | |
| SCHEMBL10275628 | 0.80 | AKT1 (0.54) | CYP1A2CYP1B1CYP3A4MAPK1NPSR1 | |
| SCHEMBL10275631 | 0.80 | AKT1 (0.54) | CYP1A2CYP1B1CYP3A4MAPK1NPSR1 | |
| SCHEMBL10439177 | 0.80 | AKT1 (0.54) | CYP1A2CYP1B1CYP3A4MAPK1NPSR1 | |
| SCHEMBL10036804 | 0.77 | CYP1A1 (0.63) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL166048 | 0.77 | CYP1A1 (0.63) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL7368740 | 0.76 | MAPK1 (0.60) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL14305648 | 0.76 | MAPT (0.57) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL7368742 | 0.76 | MAPK1 (0.60) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 |
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-4521422-A | ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0129847-A2 | Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |