Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 5/20 | 0.67 |
| ▸ | GAA | P10253 | 4/20 | 0.67 |
| ▸ | TP53 | P04637 | 4/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | METAP2 | P50579 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | JAK2 | O60674 | 1/20 | 0.55 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833874 | 0.88 | CYP1A2 (0.77) | NPC1LMNAGAATP53HTT | |
| SCHEMBL9621501 | 0.87 | LMNA (0.67) | NPC1LMNAGAATP53HTT | |
| SCHEMBL2701801 | 0.81 | HPGD (0.77) | NPC1LMNAGAATP53HTT | |
| SCHEMBL21828985 | 0.81 | PTGES (0.64) | NPC1GAATP53HPGDCYP1A2 | |
| SCHEMBL845142 | 0.81 | LMNA (1.00) | NPC1LMNAGAATP53HTT | |
| SCHEMBL27575357 | 0.80 | MEN1 (0.71) | NPC1LMNAGAAHPGDCYP1A2 | |
| SCHEMBL5357012 | 0.80 | KCNMA1 (0.68) | NPC1LMNAGAATP53HTT | |
| SCHEMBL926677 | 0.80 | NPC1 (0.76) | NPC1LMNAGAATP53HTT | |
| SCHEMBL28842312 | 0.79 | LMNA (0.96) | NPC1LMNAGAATP53HTT | |
| SCHEMBL28842439 | 0.79 | LMNA (0.96) | NPC1LMNAGAATP53HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117030873-A | Liquid phase analysis method of related substances of rosapine intermediate | 武汉世吉药业有限公司 | 2023-11-10 | — | — | CN | disclosed |
| EP-0797577-B1 | BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY | ALLELIX BIOPHARMA (CA) | 2000-07-26 | — | — | EP | disclosed |
| US-5703072-A | TREATMENT OF SCHIZOPHRENIA AND ANXIETY | ALLELIX BIOPHARMACEUTICALS (CA) | 1997-12-30 | — | — | US | disclosed |
| EP-0797577-A1 | BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY | Allelix Biopharmaceuticals Inc. (CA) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018630-A1 | BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1996-06-20 | — | — | WO | disclosed |