Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29471383 | 0.91 | — | — | |
| SCHEMBL59871 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL23320033 | 0.88 | MAOA (0.40) | MAOAMAOBCYP1A2TSHRCYP2A6 | |
| SCHEMBL16439994 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL28700206 | 0.81 | MAOA (0.38) | MAOAMAOBCYP1A2TSHRCYP2A6 | |
| SCHEMBL2075437 | 0.79 | MAOA (0.39) | MAOAMAOBCYP1A2TSHRCES1 | |
| SCHEMBL11508366 | 0.77 | LMNA (0.48) | MAOAMAOBCYP1A2TSHRCA1 | |
| SCHEMBL11505205 | 0.77 | LMNA (0.48) | MAOAMAOBCYP1A2TSHRCA1 | |
| SCHEMBL11505396 | 0.77 | LMNA (0.48) | MAOAMAOBCYP1A2TSHRCA1 | |
| SCHEMBL11227471 | 0.77 | LMNA (0.48) | MAOAMAOBCYP1A2TSHRCA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5877317-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0737189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |