Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.59 |
| ▸ | HTR2B | P41595 | 3/20 | 0.59 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HTR2A | P28223 | 3/20 | 0.59 |
| ▸ | HTR2C | P28335 | 3/20 | 0.59 |
| ▸ | HTR6 | P50406 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | SCN1A | P35498 | 2/20 | 0.59 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.59 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL6534248 | 1.00 | CYP2D6 (0.62) | CYP2D6ADRB2ADRB1ADRB3SIGMAR1 | |
| SCHEMBL6534438 | 0.88 | CYP2D6 (0.61) | CYP2D6ADRB2ADRB1ADRB3SIGMAR1 | |
| SCHEMBL6534435 | 0.88 | CYP2D6 (0.61) | CYP2D6ADRB2ADRB1ADRB3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL6534421 | 0.88 | CYP2D6 (0.60) | CYP2D6ADRB2ADRB1ADRB3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL6534418 | 0.88 | CYP2D6 (0.60) | CYP2D6ADRB2ADRB1ADRB3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL6534370 | 0.85 | LMNA (0.50) | CYP2D6ALDH1A1SMN1; SMN2LMNAHPGD | |
| Hydrochloric Acid SCHEMBL6534372 | 0.85 | LMNA (0.50) | CYP2D6ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL6534362 | 0.82 | KMT2A (0.56) | ADRB2ADRB1LMNAHTR1AABCB1 | |
| SCHEMBL6534512 | 0.82 | KMT2A (0.59) | ADRB2ADRB1LMNAHTR1AABCB1 | |
| SCHEMBL6534517 | 0.82 | KMT2A (0.59) | ADRB2ADRB1LMNAHTR1AABCB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | claimed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | claimed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | claimed |
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |