Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 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 | |
|---|---|---|---|---|
| SCHEMBL17313343 | 0.85 | CYP2D6 (0.33) | OPRD1NPSR1CYP1A2CYP2D6PKM | |
| SCHEMBL20829870 | 0.76 | LDHA (0.34) | — | |
| SCHEMBL21753524 | 0.73 | ALDH1A1 (0.38) | NPSR1KMT2ACYP1A2CYP2D6PKM | |
| SCHEMBL2205423 | 0.70 | ADRA1D (0.41) | KMT2AGAA | |
| Hydrochloric Acid SCHEMBL3803201 | 0.69 | ADRA1D (0.40) | KMT2AGAA | |
| SCHEMBL298933 | 0.68 | RAB9A (0.40) | KMT2ASMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL21753516 | 0.67 | TSHR (0.40) | NPSR1KMT2ACYP1A2SMN1; SMN2MAPT | |
| SCHEMBL1274356 | 0.66 | LDHA (0.36) | — | |
| SCHEMBL7865094 | 0.66 | LDHA (0.34) | MAPTALDH1A1 | |
| SCHEMBL9425743 | 0.66 | LDHA (0.34) | LMNAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37449-E1 | INCLUDING 1,4-REDUCTION OF DIMERIC IMINIUM INTERMEDIATE TO AN ENAMINE BY REACTION WITH A 1,4-DIHYDROPYRIDINE; OXIDATIVE TRANSFORMATION OF THE PRODUCT TO A SECOND IMINIUM INTERMEDIATE; REDUCTION OF THE SECOND INTERMEDIATE | UNIVERSITY OF BRITISH COLUMBIA (CA) | 2001-11-13 | — | — | US | disclosed |
| CN-1027266-C | Process for synthesis of dimer alkaloid compounds | UNIV BRITISH COLUMBIA (CA) | 1995-01-04 | — | — | CN | disclosed |
| US-5047528-A | Antiviral, Antitumor And Antileukemic Agents | UNIVERSITY OF BRISTISH COLUMBIA (CA) | 1991-09-10 | — | — | US | disclosed |
| CN-1034728-A | The synthetic method of dimer alkaloid compounds | UNIV BRITISH COLUMBIA (CA) | 1989-08-16 | — | — | CN | disclosed |