Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5489164 | 0.85 | SIGMAR1 (0.46) | SIGMAR1HTR6CES1MPOSRD5A1 | |
| Hydrochloric Acid SCHEMBL8894987 | 0.84 | SIGMAR1 (0.49) | SIGMAR1HTR6CES1MPONOS3 | |
| SCHEMBL20825056 | 0.82 | SIGMAR1 (0.45) | SIGMAR1CES1SRD5A1SRD5A2NOTUM | |
| SCHEMBL9235448 | 0.81 | SIGMAR1 (0.50) | SIGMAR1CES1MPO | |
| SCHEMBL8952468 | 0.81 | HTR6 (0.54) | SIGMAR1HTR6CES1TDP1 | |
| SCHEMBL9379776 | 0.81 | SIGMAR1 (0.46) | SIGMAR1HTR6CES1MPONOS3 | |
| SCHEMBL29446311 | 0.81 | SIGMAR1 (0.46) | SIGMAR1HTR6CES1MPONOS3 | |
| SCHEMBL27294942 | 0.80 | SIGMAR1 (0.59) | SIGMAR1 | |
| SCHEMBL7825602 | 0.80 | SIGMAR1 (0.49) | SIGMAR1SRD5A1SRD5A2 | |
| Hydrochloric Acid SCHEMBL15053825 | 0.79 | SIGMAR1 (0.44) | SIGMAR1HTR6CES1MPONOS3 |
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 7 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 |
| CN-1046507-C | Heterocyclic compounds for the treatment of central nervous system and cardiovascular diseases | UPJOHN CO (US) | 1999-11-17 | — | — | CN | disclosed |
| US-5877317-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| CN-1139431-A | Heterocyclic compounds for the treatment of central nervous system and cardiovascular diseases | PHARMACIA & UPJOHN CO LLC (US) | 1997-01-01 | — | — | CN | 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 |
| EP-0135177-B1 | BENZOCYCLOALKANE DERIVATIVES | DAIICHI SEIYAKU CO., LTD. (JP) | 1989-12-06 | — | — | EP | disclosed |