Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28383321 | 0.81 | ESR1 (0.44) | CA2CAMK2AESR1ESR2DEGS1 | |
| SCHEMBL11099285 | 0.81 | ESR1 (0.49) | CA2CAMK2AESR1ESR2DEGS1 | |
| SCHEMBL31735894 | 0.79 | GABRA5 (0.39) | CA2CAMK2AGABRA5GABRB2GABRP | |
| SCHEMBL10817486 | 0.79 | P4HA1 (0.55) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL5686 | 0.79 | ALDH1A1 (0.52) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL13798198 | 0.79 | GABRA5 (0.39) | CA2CAMK2AESR1ESR2GABRA5 | |
| SCHEMBL1626164 | 0.79 | GABRA5 (0.47) | CA2GABRA5GABRB2GABRPGABRD | |
| SCHEMBL2434696 | 0.79 | MAPT (0.44) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL29535595 | 0.79 | AGBL2 (0.47) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL12984381 | 0.79 | AGBL2 (0.47) | GABRA5GABRB2GABRPGABRDGABRA1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |
| CN-102149688-B | Novel benzimidazole derivatives | HOFFMANN LA ROCHE | 2014-11-19 | — | — | CN | disclosed |
| CN-102414206-B | Isoxazole-pyridine derivatives | HOFFMANN LA ROCHE | 2014-11-05 | — | — | CN | disclosed |
| CN-102666507-B | Oxazine derivatives and their use in the treatment of neurological disorders | NOVARTIS AG | 2014-09-17 | — | — | CN | disclosed |
| CN-103502227-A | 1 as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2014-01-08 | — | — | CN | disclosed |
| CN-103380134-A | N-[3-(5-amino-3,3a,7,7a-tetrahydro-1h-2,4-dioxa-6-aza-inden-7-yl)-phenyl]-amides as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2013-10-30 | — | — | CN | disclosed |
| CN-102712609-A | 2-amino-5, 5-difluoro-5, 6-dihydro-4H-oxazines as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2012-10-03 | — | — | CN | disclosed |
| CN-102666507-A | Oxazine derivatives and their use in the treatment of neurological disorders | NOVARTIS AG | 2012-09-12 | — | — | CN | disclosed |
| CN-102639516-A | 3-amino-5-phenyl-5, 6-dihydro-2H- [1,4] oxazine derivatives | HOFFMANN LA ROCHE | 2012-08-15 | — | — | CN | disclosed |
| CN-102414206-A | Isoxazole-pyridine derivatives | HOFFMANN LA ROCHE | 2012-04-11 | — | — | CN | disclosed |
| CN-102149688-A | Novel Benzimidazole Derivatives | HOFFMANN LA ROCHE | 2011-08-10 | — | — | CN | disclosed |
| US-20090233950-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2009-09-17 | — | — | US | disclosed |
| US-20090076075-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2009-03-19 | — | — | US | disclosed |
| EP-1994024-A2 | QUINOLINE DERIVATIVES | AstraZeneca AB (SE) | 2008-11-26 | — | — | EP | disclosed |
| EP-1994023-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007099323-A2 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007099317-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-09-07 | — | — | WO | 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-20090076075-A1 | QUINOLINE DERIVATIVES | RECQL, NQO2, NRAS | CA2 1983/4885CAMK2A 2622/4885ESR1 2284/4885 |
| US-20090233950-A1 | QUINAZOLINE DERIVATIVES | NQO2, CCNI, F12 | CA2 2026/4885CAMK2A 2556/4885ESR1 3173/4885 |
“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.