Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23996970 | 0.86 | PDK2 (0.45) | LMNAPDK2ESR1ESR2OPRK1 | |
| SCHEMBL7314066 | 0.82 | PDK2 (0.57) | LMNANPSR1PDK2ESR1ESR2 | |
| SCHEMBL7312957 | 0.82 | LMNA (0.43) | LMNANPSR1PDK2HDAC4OPRM1 | |
| SCHEMBL7315823 | 0.82 | PDK2 (0.61) | LMNANPSR1PDK2ESR1ESR2 | |
| SCHEMBL7053703 | 0.81 | ESR1 (0.56) | LMNANPSR1PDK2ESR1ESR2 | |
| SCHEMBL7320476 | 0.81 | LMNA (0.42) | LMNANPSR1PDK2HDAC4OPRM1 | |
| SCHEMBL7322189 | 0.81 | LMNA (0.45) | LMNANPSR1PDK2HDAC4OPRM1 | |
| SCHEMBL28612399 | 0.80 | PDK2 (0.45) | LMNANPSR1PDK2HDAC4OPRM1 | |
| SCHEMBL18723336 | 0.80 | ALDH1A1 (0.46) | LMNANPSR1PDK2HDAC4OPRM1 | |
| SCHEMBL7320511 | 0.79 | PDK2 (0.47) | LMNANPSR1PDK2ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001009117-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELLIX NEUROSCIENCE INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |