Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21880254 | 0.85 | BCHE (0.35) | BCHECYP1A2CYP3A4KMT2AHTT | |
| SCHEMBL7322303 | 0.84 | P2RX1 (0.44) | BCHECYP1A2CYP3A4KMT2AHTT | |
| SCHEMBL1758080 | 0.84 | OPRM1 (0.42) | OPRM1OPRK1OPRL1PDK2POLB | |
| SCHEMBL13848433 | 0.81 | PDK2 (0.38) | BCHEOPRL1CYP3A4KMT2AHTT | |
| SCHEMBL7320476 | 0.81 | LMNA (0.42) | BCHEOPRM1OPRK1OPRL1KMT2A | |
| SCHEMBL7320511 | 0.79 | PDK2 (0.47) | OPRM1OPRK1OPRL1KMT2ANPSR1 | |
| SCHEMBL13940072 | 0.78 | PDK2 (0.40) | BCHEOPRM1OPRK1OPRL1CYP1A2 | |
| SCHEMBL7315720 | 0.77 | KIF11 (0.46) | OPRM1OPRK1OPRL1PDK2ALOX12 | |
| SCHEMBL22169961 | 0.76 | POLB (0.31) | POLB | |
| SCHEMBL888093 | 0.75 | NPC1 (0.40) | BCHECYP1A2CYP3A4NPSR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |