Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 7/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PRF1 | P14222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28797321 | 0.79 | CYP2A6 (0.49) | CYP2A6ALDH1A1 | |
| SCHEMBL14265160 | 0.78 | CYP2A6 (0.52) | CYP2A6MAOBMAOAADORA3ADORA2A | |
| SCHEMBL16686415 | 0.78 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL1397702 | 0.78 | CYP2A6 (0.43) | CYP2A6MAOBMAOAADORA2AKMT2A | |
| SCHEMBL118870 | 0.77 | LMNA (0.56) | CYP2A6MAOBADORA3ADORA2AADORA1 | |
| SCHEMBL21230505 | 0.76 | CYP2A6 (0.40) | CYP2A6MAOBMAOAADORA2AKMT2A | |
| SCHEMBL9525912 | 0.74 | CYP2A6 (0.56) | CYP2A6ADORA1KMT2AALDH1A1TSHR | |
| SCHEMBL14231755 | 0.74 | MAOB (0.75) | CYP2A6MAOBMAOAADORA3ADORA2A | |
| SCHEMBL4428324 | 0.74 | MAOB (0.58) | CYP2A6MAOBMAOAADORA3ADORA2A | |
| SCHEMBL25405453 | 0.74 | CYP2A6 (0.47) | CYP2A6KMT2AALDH1A1 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4002793-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1977-01-11 | — | — | US | claimed |
| CN-106674226-B | Antifungal compounds substituted with heterocyclic derivatives | 詹森药业有限公司 | 2020-05-26 | — | — | CN | disclosed |
| US-9975899-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-22 | — | — | US | disclosed |
| US-20170073348-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-16 | — | — | US | disclosed |
| US-9493468-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-15 | — | — | US | disclosed |
| EP-2707370-B1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-04-29 | — | — | EP | disclosed |
| EP-2707370-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2014-03-19 | — | — | EP | disclosed |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-13 | — | — | US | disclosed |
| WO-2012150305-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-08 | — | — | WO | disclosed |
| US-5182295-A | Miticides, fungicides | ROUSSEL UCLAF (FR) | 1993-01-26 | — | — | US | disclosed |
| US-4002793-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1977-01-11 | — | — | US | disclosed |
| US-4002793-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1977-01-11 | — | — | US | disclosed |
| US-4002793-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1977-01-11 | — | — | US | disclosed |
| US-3989713-A | Pyrrylmethylthio flavoring agents | FIRMENICH & CIE (CH) | 1976-11-02 | — | — | US | disclosed |
| US-3952026-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3952024-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3943260-A | TETRAHYDRO-THIO-PHEN-3-ONES | FIRMENICH & CIE (CH) | 1976-03-09 | — | — | US | disclosed |
| US-3931245-A | FURYLALKYLTHIOL CARBOXYLATES | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931246-A | FURYLALKYL-THIOETHERS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931166-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | 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 (2 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-20170073348-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | GABBR1, HRH4, CYP1B1 | CYP2A6 41/4885MAOB 855/4885MAOA 864/4885 |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | GABBR1, HRH4, CYP1B1 | CYP2A6 41/4885MAOB 855/4885MAOA 864/4885 |
“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.