Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769995 | 1.00 | TSHR (0.56) | TSHRUSP2TP53ALOX15MAPK1 | |
| SCHEMBL6092329 | 0.82 | KMT2A (0.48) | KMT2AMEN1CYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL6091141 | 0.82 | FAAH (0.49) | TSHRMAPK1NPSR1CYP1B1CYP3A4 | |
| SCHEMBL4731777 | 0.76 | RAB9A (0.51) | TSHRTP53MAPK1KMT2AMEN1 | |
| SCHEMBL4728914 | 0.76 | RAB9A (0.51) | TSHRTP53MAPK1KMT2AMEN1 | |
| SCHEMBL4726425 | 0.74 | MAOA (0.47) | KMT2AMEN1MAPTLMNA | |
| SCHEMBL4729401 | 0.74 | MAOA (0.47) | KMT2AMEN1MAPTLMNA | |
| SCHEMBL27494751 | 0.74 | CYP1A1 (0.63) | MAPK1NPSR1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6090897 | 0.74 | P2RX7 (0.46) | MAPK1NPSR1CYP1A2CYP1B1MAPT | |
| SCHEMBL18317449 | 0.74 | RAB9A (0.45) | CYP1B1KMT2AMEN1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008035049-A1 | ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2008-03-27 | — | — | WO | disclosed |