Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.68 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1028579 | 0.94 | HSD17B1 (0.77) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL1029061 | 0.92 | TSHR (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL1520884 | 0.87 | TAAR1 (0.65) | ALOX5ESR2TAAR1CNR1CYP1A2 | |
| SCHEMBL29776911 | 0.87 | TAAR1 (0.65) | ALOX5ESR2TAAR1CNR1CYP1A2 | |
| SCHEMBL5379998 | 0.85 | ESR1 (0.70) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL29434858 | 0.85 | ESR1 (0.70) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| Phenol SCHEMBL28114880 | 0.83 | TSHR (0.60) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL7898375 | 0.82 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2C9ESR2 | |
| SCHEMBL16394285 | 0.82 | TAAR1 (0.71) | ALOX5ESR2TAAR1CYP1A2MAOB | |
| SCHEMBL31491189 | 0.82 | TAAR1 (0.71) | ALOX5ESR2TAAR1CYP1A2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957493-A1 | 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS | N.V. Organon (NL) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007063071-A1 | 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS | N.V. ORGANON (NL) | 2007-06-07 | — | — | WO | disclosed |