Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | USP7 | Q93009 | 1/20 | 0.45 |
| ▸ | STK10 | O94804 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21218541 | 0.86 | HSD17B1 (0.47) | CYP2A6HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL20961075 | 0.85 | HSD17B1 (0.45) | CYP2A6HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL4779452 | 0.84 | HSD17B1 (0.64) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL9479255 | 0.84 | CYP2A6 (0.71) | CYP2A6TSHRKAT6ASCN9A | |
| SCHEMBL29628996 | 0.84 | CYP2A6 (0.71) | CYP2A6TSHRKAT6ASCN9A | |
| Phenol SCHEMBL27256946 | 0.83 | CYP2A6 (0.77) | CYP2A6CYP3A4CYP2C9USP7ESR2 | |
| SCHEMBL3680161 | 0.82 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL24105871 | 0.82 | HSD17B1 (0.69) | CYP2A6HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL5050883 | 0.80 | HSD17B1 (0.58) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL17051267 | 0.80 | HSD17B1 (0.58) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10799510-B2 | Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists | GENFIT (FR) | 2020-10-13 | — | — | US | disclosed |
| US-20170296548-A1 | DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS | GENFIT (FR) | 2017-10-19 | — | — | US | disclosed |
| US-9586963-B2 | Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists | GENFIT (FR) | 2017-03-07 | — | — | US | disclosed |
| US-20150038503-A1 | DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS | GENFIT (FR) | 2015-02-05 | — | — | US | disclosed |
| EP-1957493-B1 | 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS | ORGANON NV (NL) | 2011-01-19 | — | — | EP | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| US-7605170-B2 | 8-azabicyclo[3.2.1]octane derivatives | N.V. ORGANON (NL) | 2009-10-20 | — | — | US | disclosed |
| EP-1957493-A1 | 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS | N.V. Organon (NL) | 2008-08-20 | — | — | EP | disclosed |
| US-20070185156-A1 | 8-Azabicyclo[3.2.1]octane derivatives | N.V. ORGANON (NL) | 2007-08-09 | — | — | US | 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 |
| US-7064144-B2 | Imidazole derivatives as adenosine deaminase inhibitors | ASTELLAS PHARMA INC. (JP) | 2006-06-20 | — | — | US | disclosed |
| US-20040236114-A1 | Imidazole derivatives as adenosine deaminase inhibitors | ASTELLAS PHARMA INC. (JP) | 2004-11-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040236114-A1 | Imidazole derivatives as adenosine deaminase inhibitors | ADA, ADAR, IMPDH1 | CYP2A6 358/4885HSD17B1 362/4885HSD17B2 441/4885 |
| US-10799510-B2 | Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists | NR1D1, NR1D2, PER2 | CYP2A6 104/4885HSD17B1 675/4885HSD17B2 732/4885 |
| US-20170296548-A1 | DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS | NR1D1, NR1D2, PER2 | CYP2A6 104/4885HSD17B1 675/4885HSD17B2 732/4885 |
| US-20150038503-A1 | DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS | NR1D1, NR1D2, PER2 | CYP2A6 104/4885HSD17B1 675/4885HSD17B2 732/4885 |
| US-20070185156-A1 | 8-Azabicyclo[3.2.1]octane derivatives | SLC22A8, SLCO1B3, SLCO1B1 | CYP2A6 70/4885HSD17B1 1363/4885HSD17B2 1275/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.