Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.36 |
| ▸ | PRLHR | P49683 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10491435 | 0.99 | ABCG2 (0.45) | ABCG2ABCB1CYP3A4CYP2C9PDE1A | |
| SCHEMBL10491384 | 0.88 | MAPT (0.41) | ABCG2ABCB1PDE1APDE1BPDE1C | |
| SCHEMBL10491436 | 0.88 | PTGDR2 (0.40) | ABCG2ABCB1CNR2ALDH1A1PTGDR2 | |
| SCHEMBL10491440 | 0.86 | PTGS1 (0.44) | ABCG2ABCB1CYP2C9LMNACYP1A2 | |
| SCHEMBL9532750 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2C9PDE1APDE1BPDE1C | |
| SCHEMBL10491433 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2C9PDE1APDE1BPDE1C | |
| SCHEMBL10491365 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C9PDE1APDE1BPDE1C | |
| Hydrochloric Acid SCHEMBL10491364 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C9PDE1APDE1BPDE1C | |
| SCHEMBL10491378 | 0.78 | CYP3A4 (0.48) | ABCG2ABCB1CYP3A4CYP2C9PDE1A | |
| SCHEMBL10491371 | 0.78 | CYP3A4 (0.44) | ABCG2ABCB1CYP3A4CYP2C9PDE1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287468-B1 | 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-03-10 | — | — | EP | disclosed |
| US-4886802-A | ANALGESICS | ROUSSEL UCLAF (FR) | 1989-12-12 | — | — | US | disclosed |
| EP-0287468-A2 | 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1988-10-19 | — | — | EP | disclosed |